8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C12H14ClN3O2 — CID 117255040

IUPAC8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNCCCc1nc(C(=O)O)c2c(Cl)cccn12
InChIInChI=1S/C12H14ClN3O2/c1-14-6-2-5-9-15-10(12(17)18)11-8(13)4-3-7-16(9)11/h3-4,7,14H,2,5-6H2,1H3,(H,17,18)
InChIKeyHIWLQUAPQHVCBX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.84
Rot. Bonds5

About 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255040) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255040
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNCCCc1nc(C(=O)O)c2c(Cl)cccn12
InChIInChI=1S/C12H14ClN3O2/c1-14-6-2-5-9-15-10(12(17)18)11-8(13)4-3-7-16(9)11/h3-4,7,14H,2,5-6H2,1H3,(H,17,18)
InChIKeyHIWLQUAPQHVCBX-UHFFFAOYSA-N
XLogP1.84
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255610
8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255609
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254425
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
3-(1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253307
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255040) is 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is CNCCCc1nc(C(=O)O)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HIWLQUAPQHVCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-14-6-2-5-9-15-10(12(17)18)11-8(13)4-3-7-16(9)11/h3-4,7,14H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 267.72 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).