N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

C16H11BrCl2N4O — CID 67387539

IUPACN-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Br)c2nc(-c3c(Cl)cccc3Cl)[nH]c12)C1CC1
InChIInChI=1S/C16H11BrCl2N4O/c17-8-6-20-15(23-16(24)7-4-5-7)13-12(8)21-14(22-13)11-9(18)2-1-3-10(11)19/h1-3,6-7H,4-5H2,(H,21,22)(H,20,23,24)
InChIKeyOOVNOJFCILNQHK-UHFFFAOYSA-N
MW426.10 g/mol
LogP5.04
Rot. Bonds3

About N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 67387539) has the molecular formula C16H11BrCl2N4O and a molecular weight of 426.10 g/mol. Its IUPAC name is N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID67387539
Molecular FormulaC16H11BrCl2N4O
Molecular Weight426.10 g/mol
Exact Mass423.95
IUPAC NameN-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Br)c2nc(-c3c(Cl)cccc3Cl)[nH]c12)C1CC1
InChIInChI=1S/C16H11BrCl2N4O/c17-8-6-20-15(23-16(24)7-4-5-7)13-12(8)21-14(22-13)11-9(18)2-1-3-10(11)19/h1-3,6-7H,4-5H2,(H,21,22)(H,20,23,24)
InChIKeyOOVNOJFCILNQHK-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.10
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
CID 67383579
7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine
CID 67388081
1-[8-(2,6-dichlorophenyl)-7H-purin-6-yl]-3-methylurea
CID 67383980
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine
CID 70833474
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
methyl 2-chloro-6-(cyclopropanecarbonylamino)benzoate
CID 141100148

Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (CID 67387539) is N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is O=C(Nc1ncc(Br)c2nc(-c3c(Cl)cccc3Cl)[nH]c12)C1CC1.
What is the InChIKey of N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is OOVNOJFCILNQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N4O/c17-8-6-20-15(23-16(24)7-4-5-7)13-12(8)21-14(22-13)11-9(18)2-1-3-10(11)19/h1-3,6-7H,4-5H2,(H,21,22)(H,20,23,24).
What are the key properties of N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 426.10 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-2-(2,6-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67387539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).