6-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
489415-28-3- Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OCc1ccc(Cl)cc1- InChIKey
GJSABXOYEKVKAM-UHFFFAOYSA-N- Molecular formula
- C27H21ClN4O3
- Average molar mass
- 484.9 g/mol
- Monoisotopic mass
- 484.1302182
Names & identifiers
- Preferred name
- 6-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- SALOR-INT L187631-1EA
- Molecular formula
- C27H21ClN4O3
- Molecular weight
- 484.93
Names & synonyms
6-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileMFCD03296478STK005339AKOS002170453AKOS016295622ZINC000009334770ZINC000009334771ST50055932N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OCc1ccc(cc1)Cl)c(n(nH)2)c1ccccc1COC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)OCC5=CC=C(C=C5)Cl6-AMINO-4-{4-[(4-CHLOROPHENYL)METHOXY]-3-METHOXYPHENYL}-3-PHENYL-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
Show more names
SALOR-INT L187631-1EAPyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4-dihydro-3-phenyl-
6AMINO4(4((4CHLOROBENZYL)OXY)3METHOXYPHENYL)3PHENYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE6AMINO4(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)3PHENYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 801
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