8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

C19H21ClN6O — CID 46863083

IUPAC8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)
InChIKeyDIVVQJIIRBQSMU-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.83
Rot. Bonds4

About 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863083) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863083
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)
InChIKeyDIVVQJIIRBQSMU-UHFFFAOYSA-N
XLogP2.83
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863083) is 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is NC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is DIVVQJIIRBQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24).
What are the key properties of 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).