6'-Amino-1-benzyl-3'-methyl-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Basic information
- CAS
445390-57-8- Standard SMILES
Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2- InChIKey
HKFWEPCQVAIAAS-UHFFFAOYSA-N- Molecular formula
- C28H21N5O2
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.16952493
Names & identifiers
- Preferred name
- 6'-Amino-1-benzyl-3'-methyl-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
- IUPAC
- 6'-amino-1-benzyl-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
- English name
- 6-amino-1'-benzyl-5-cyano-3-methyl-2'-oxo-1-phenyl-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)
- Molecular formula
- C28H21N5O2
- Molecular weight
- 459.5
Names & synonyms
445390-57-86'-Amino-1-benzyl-3'-methyl-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile6'-amino-1-benzyl-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile6'-amino-1-benzyl-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrileSpiro 2-[4-amino-9-butyl-7-phenyl-5-oxa-7,8-diazbicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile]-3'-[1'-benzyl-1',3'-dihySTL162961AKOS003597881AKOS016340435SS-07086-amino-1'-benzyl-5-cyano-3-methyl-2'-oxo-1-phenyl-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)Spiro 2-[4-amino-9-butyl-7-phenyl-5-oxa-7,8-diazbicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile]-3'-[1'-benzyl-1',3'-dihydro-2h-indol-2'-one]CS-0332173
Show more names
Spiro[3H-indole-3,4'(1'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-1,2-dihydro-3'-methyl-2-oxo-1'-phenyl-1-(phenylmethyl)-
AM-807/14961347
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 914
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