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

C18H19ClN4O2 — CID 90403529

IUPAC2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cnc2nc(-c3cc(NC(=O)OCC(C)C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H19ClN4O2/c1-10(2)9-25-18(24)21-12-4-5-14(19)13(7-12)16-22-15-6-11(3)8-20-17(15)23-16/h4-8,10H,9H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyYYJYQEBCBGECSC-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.79
Rot. Bonds4

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

2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 90403529) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
PubChem CID90403529
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cnc2nc(-c3cc(NC(=O)OCC(C)C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H19ClN4O2/c1-10(2)9-25-18(24)21-12-4-5-14(19)13(7-12)16-22-15-6-11(3)8-20-17(15)23-16/h4-8,10H,9H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyYYJYQEBCBGECSC-UHFFFAOYSA-N
XLogP4.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate 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-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate (CID 90403529) is 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate is Cc1cnc2nc(-c3cc(NC(=O)OCC(C)C)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is YYJYQEBCBGECSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10(2)9-25-18(24)21-12-4-5-14(19)13(7-12)16-22-15-6-11(3)8-20-17(15)23-16/h4-8,10H,9H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 358.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 90403529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).