(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone

C13H13ClN4O — CID 112536314

IUPAC(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone
SMILESCn1c(Cl)nc2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C13H13ClN4O/c1-17-11-8-18(6-4-10(11)16-13(17)14)12(19)9-3-2-5-15-7-9/h2-3,5,7H,4,6,8H2,1H3
InChIKeyQVBKCGUPHFJECG-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.67
Rot. Bonds1

About (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone

(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone (PubChem CID 112536314) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone
PubChem CID112536314
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone
SMILESCn1c(Cl)nc2c1CN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C13H13ClN4O/c1-17-11-8-18(6-4-10(11)16-13(17)14)12(19)9-3-2-5-15-7-9/h2-3,5,7H,4,6,8H2,1H3
InChIKeyQVBKCGUPHFJECG-UHFFFAOYSA-N
XLogP1.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone with MolForge

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Related Compounds

(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536266
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
[4-[2-(2-chlorophenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 142062198
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525644
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536176
pyridin-3-yl-[2-(pyrrolidine-1-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 97442557
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56868340
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone (CID 112536314) is (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone is Cn1c(Cl)nc2c1CN(C(=O)c1cccnc1)CC2.
What is the InChIKey of (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone?
The InChIKey is QVBKCGUPHFJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-17-11-8-18(6-4-10(11)16-13(17)14)12(19)9-3-2-5-15-7-9/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone?
(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone has a molecular weight of 276.73 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 112536314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).