[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C20H17ClN6O — CID 70758004

IUPAC[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCc4[nH]ncc4C3)cnc21
InChIInChI=1S/C20H17ClN6O/c1-26-18(14-4-2-3-5-15(14)21)24-17-8-12(9-22-19(17)26)20(28)27-7-6-16-13(11-27)10-23-25-16/h2-5,8-10H,6-7,11H2,1H3,(H,23,25)
InChIKeyJNAVUVRMTZRMSD-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.21
Rot. Bonds2

About [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 70758004) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID70758004
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCc4[nH]ncc4C3)cnc21
InChIInChI=1S/C20H17ClN6O/c1-26-18(14-4-2-3-5-15(14)21)24-17-8-12(9-22-19(17)26)20(28)27-7-6-16-13(11-27)10-23-25-16/h2-5,8-10H,6-7,11H2,1H3,(H,23,25)
InChIKeyJNAVUVRMTZRMSD-UHFFFAOYSA-N
XLogP3.21
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 70758004) is [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCc4[nH]ncc4C3)cnc21.
What is the InChIKey of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JNAVUVRMTZRMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-26-18(14-4-2-3-5-15(14)21)24-17-8-12(9-22-19(17)26)20(28)27-7-6-16-13(11-27)10-23-25-16/h2-5,8-10H,6-7,11H2,1H3,(H,23,25).
What are the key properties of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 392.85 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 70758004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).