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

C17H17ClN4O2 — CID 90404079

IUPACpropan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cnc2nc(-c3cc(NC(=O)OC(C)C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H17ClN4O2/c1-9(2)24-17(23)20-11-4-5-13(18)12(7-11)15-21-14-6-10(3)8-19-16(14)22-15/h4-9H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyZBWLSYPHHKMTLW-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.54
Rot. Bonds3

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

propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 90404079) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
PubChem CID90404079
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Namepropan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
SMILESCc1cnc2nc(-c3cc(NC(=O)OC(C)C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C17H17ClN4O2/c1-9(2)24-17(23)20-11-4-5-13(18)12(7-11)15-21-14-6-10(3)8-19-16(14)22-15/h4-9H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyZBWLSYPHHKMTLW-UHFFFAOYSA-N
XLogP4.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate (CID 90404079) is propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate is Cc1cnc2nc(-c3cc(NC(=O)OC(C)C)ccc3Cl)[nH]c2c1.
What is the InChIKey of propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is ZBWLSYPHHKMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-9(2)24-17(23)20-11-4-5-13(18)12(7-11)15-21-14-6-10(3)8-19-16(14)22-15/h4-9H,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate?
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 344.80 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 90404079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).