2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine

C18H23ClN6 — CID 167792605

IUPAC2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc2ncccc2[nH]1
InChIInChI=1S/C18H23ClN6/c1-11(2)10-25-16(19)15(12(3)23-25)14-7-5-9-24(14)18-21-13-6-4-8-20-17(13)22-18/h4,6,8,11,14H,5,7,9-10H2,1-3H3,(H,20,21,22)
InChIKeyKQLJTFXRJWYGMO-UHFFFAOYSA-N
MW358.88 g/mol
LogP4.11
Rot. Bonds4

About 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine

2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 167792605) has the molecular formula C18H23ClN6 and a molecular weight of 358.88 g/mol. Its IUPAC name is 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID167792605
Molecular FormulaC18H23ClN6
Molecular Weight358.88 g/mol
Exact Mass358.17
IUPAC Name2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc2ncccc2[nH]1
InChIInChI=1S/C18H23ClN6/c1-11(2)10-25-16(19)15(12(3)23-25)14-7-5-9-24(14)18-21-13-6-4-8-20-17(13)22-18/h4,6,8,11,14H,5,7,9-10H2,1-3H3,(H,20,21,22)
InChIKeyKQLJTFXRJWYGMO-UHFFFAOYSA-N
XLogP4.11
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 167792605) is 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine is Cc1nn(CC(C)C)c(Cl)c1C1CCCN1c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KQLJTFXRJWYGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6/c1-11(2)10-25-16(19)15(12(3)23-25)14-7-5-9-24(14)18-21-13-6-4-8-20-17(13)22-18/h4,6,8,11,14H,5,7,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 358.88 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167792605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).