N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

C17H14Cl2N4O — CID 53475998

IUPACN-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCn1c(-c2c(Cl)cccc2Cl)nc2c(NC(=O)C3CC3)nccc21
InChIInChI=1S/C17H14Cl2N4O/c1-23-12-7-8-20-15(22-17(24)9-5-6-9)14(12)21-16(23)13-10(18)3-2-4-11(13)19/h2-4,7-9H,5-6H2,1H3,(H,20,22,24)
InChIKeyOZZBTVGQWIBTTR-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.29
Rot. Bonds3

About N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 53475998) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID53475998
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCn1c(-c2c(Cl)cccc2Cl)nc2c(NC(=O)C3CC3)nccc21
InChIInChI=1S/C17H14Cl2N4O/c1-23-12-7-8-20-15(22-17(24)9-5-6-9)14(12)21-16(23)13-10(18)3-2-4-11(13)19/h2-4,7-9H,5-6H2,1H3,(H,20,22,24)
InChIKeyOZZBTVGQWIBTTR-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Saripidem
CID 3058746
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 5
CID 72713196
Diphenyl purine derivative 3
CID 72713197
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N-Desethyl otenabant
CID 10480380
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
2,4-Disubstituted Pyrimidine 2j
CID 5329423
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (CID 53475998) is N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is Cn1c(-c2c(Cl)cccc2Cl)nc2c(NC(=O)C3CC3)nccc21.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is OZZBTVGQWIBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23-12-7-8-20-15(22-17(24)9-5-6-9)14(12)21-16(23)13-10(18)3-2-4-11(13)19/h2-4,7-9H,5-6H2,1H3,(H,20,22,24).
What are the key properties of N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 361.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53475998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).