ethyl N-[2,3-bis(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate

HCID 419348

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Basic information

CAS: 21271-76-1
Standard SMILES: CCOC(=O)Nc1cc(NC(C)CCCN(CC)CC)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1
InChIKey: BHCAEFJMGWQOTP-UHFFFAOYSA-N
Molecular formula: C31H36Cl2N6O2
Average molar mass: 595.6 g/mol
Monoisotopic mass: 594.2276798

Names & identifiers

Preferred name: ethyl N-[2,3-bis(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC: ethyl N-[2,3-bis(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate

Names & synonyms

21271-76-1NSC114113ethyl N-[2,3-bis(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamateSCHEMBL13327402DTXSID70329311NSC-114113Carbamic acid, [2,3-bis(4-chlorophenyl)-8-[[4-(diethylamino)-1-methylbutyl]amino]pyrido[2,3-b]pyrazin-6-yl]-, ethyl esterEthyl [2,3-bis(4-chlorophenyl)-8-{[5-(diethylamino)pentan-2-yl]amino}pyrido[2,3-b]pyrazin-6-yl]carbamateethyl N-[2,3-bis(4-chlorophenyl)-8-[[4-(diethylamino)-1-methyl-butyl]amino]pyrido[2,3-b]pyrazin-6-yl]carbamate

Database identifiers

CAS: 21271-76-1
PubChem CID: 419348
DTXSID: DTXSID70329311

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 92.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 13
Heavy atoms: 41
Formal charge: 0
Complexity: 776

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