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

IUPACN-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC1=CC(c2cnc3cnc(C(=O)N(C)c4ccc(Cl)nc4)cn23)=CCC1
InChIInChI=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
InChIKeyGARSEOFDGGSQIG-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.18
Rot. Bonds3

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 NameN-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID163572606
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-(6-chloro-3-pyridinyl)-N-methyl-3-(5-methylcyclohexa-1,5-dien-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC1=CC(c2cnc3cnc(C(=O)N(C)c4ccc(Cl)nc4)cn23)=CCC1
InChIInChI=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
InChIKeyGARSEOFDGGSQIG-UHFFFAOYSA-N
XLogP4.18
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).