2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid

C11H12ClN3O2 — CID 174235429

IUPAC2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ncc2c(Cl)cccn12
InChIInChI=1S/C11H12ClN3O2/c1-11(2,14-10(16)17)9-13-6-8-7(12)4-3-5-15(8)9/h3-6,14H,1-2H3,(H,16,17)
InChIKeyGZUITLGVKCLYHB-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.49
Rot. Bonds2

About 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid

2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid (PubChem CID 174235429) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
PubChem CID174235429
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ncc2c(Cl)cccn12
InChIInChI=1S/C11H12ClN3O2/c1-11(2,14-10(16)17)9-13-6-8-7(12)4-3-5-15(8)9/h3-6,14H,1-2H3,(H,16,17)
InChIKeyGZUITLGVKCLYHB-UHFFFAOYSA-N
XLogP2.49
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123705917
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171598112
4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158606
8-chloro-3-methylimidazo[1,5-a]pyridine
CID 117147086
4-methyl-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-1-phenylpiperazine-2-carboxamide
CID 178028102
2-(3-azabicyclo[3.2.1]octan-8-yl)-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 166856727
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-4-(oxetan-3-yl)piperazine-2-carboxamide
CID 178028101
(1R,5R,6R)-1-methyl-N-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166861860
8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210
(1S,5R)-N-[2-[8-(cyclobutylmethylsulfanyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166862327

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid?
The IUPAC name of 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid (CID 174235429) is 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid.
What is the SMILES notation for 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid?
The canonical SMILES for 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1ncc2c(Cl)cccn12.
What is the InChIKey of 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid?
The InChIKey is GZUITLGVKCLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2,14-10(16)17)9-13-6-8-7(12)4-3-5-15(8)9/h3-6,14H,1-2H3,(H,16,17).
What are the key properties of 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid?
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid has a molecular weight of 253.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid is sourced from PubChem (CID 174235429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).