N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C17H14ClN7O — CID 90403274

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cn4cncn4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H14ClN7O/c1-10-4-14-17(20-6-10)24-16(23-14)12-5-11(2-3-13(12)18)22-15(26)7-25-9-19-8-21-25/h2-6,8-9H,7H2,1H3,(H,22,26)(H,20,23,24)
InChIKeyAMRTVKDMVLEPCT-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.82
Rot. Bonds4

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 90403274) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID90403274
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cn4cncn4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H14ClN7O/c1-10-4-14-17(20-6-10)24-16(23-14)12-5-11(2-3-13(12)18)22-15(26)7-25-9-19-8-21-25/h2-6,8-9H,7H2,1H3,(H,22,26)(H,20,23,24)
InChIKeyAMRTVKDMVLEPCT-UHFFFAOYSA-N
XLogP2.82
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 90403274) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1cnc2nc(-c3cc(NC(=O)Cn4cncn4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is AMRTVKDMVLEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-10-4-14-17(20-6-10)24-16(23-14)12-5-11(2-3-13(12)18)22-15(26)7-25-9-19-8-21-25/h2-6,8-9H,7H2,1H3,(H,22,26)(H,20,23,24).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 367.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 90403274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).