8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

C19H20Cl2N6O — CID 46863436

IUPAC8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cn12
InChIInChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)
InChIKeyCXIYFBKPJSQXDU-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.48
Rot. Bonds4

About 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide

8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (PubChem CID 46863436) has the molecular formula C19H20Cl2N6O and a molecular weight of 419.32 g/mol. Its IUPAC name is 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
PubChem CID46863436
Molecular FormulaC19H20Cl2N6O
Molecular Weight419.32 g/mol
Exact Mass418.11
IUPAC Name8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cn12
InChIInChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)
InChIKeyCXIYFBKPJSQXDU-UHFFFAOYSA-N
XLogP3.48
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.48
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-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The IUPAC name of 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide (CID 46863436) is 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is NC(=O)c1cnc(NC2CCC(N)CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cn12.
What is the InChIKey of 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
The InChIKey is CXIYFBKPJSQXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25).
What are the key properties of 8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide?
8-[(4-aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 3.48, 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-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide is sourced from PubChem (CID 46863436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).