N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C20H18ClN5O — CID 163572606

About N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide

N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 163572606) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 163572606
• Molecular Formula: C20H18ClN5O
• Molecular Weight: 379.85 g/mol
• Exact Mass: 379.12
• IUPAC Name: N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
• SMILES: CC1=CC(c2cnc3cnc(C(=O)N(C)c4ccc(Cl)nc4)cn23)=CCC1
• InChI: InChI=1S/C20H18ClN5O/c1-13-4-3-5-14(8-13)17-10-24-19-11-22-16(12-26(17)19)20(27)25(2)15-6-7-18(21)23-9-15/h5-12H,3-4H2,1-2H3
• InChIKey: GARSEOFDGGSQIG-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.85
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 163572606) is N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide is CC1=CC(c2cnc3cnc(C(=O)N(C)c4ccc(Cl)nc4)cn23)=CCC1.

What is the InChIKey of N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is GARSEOFDGGSQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13-4-3-5-14(8-13)17-10-24-19-11-22-16(12-26(17)19)20(27)25(2)15-6-7-18(21)23-9-15/h5-12H,3-4H2,1-2H3.

What are the key properties of N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide?

N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 163572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).