6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H14ClN3O2 — CID 117253630

IUPAC6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCNC2)n2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN3O2/c14-9-1-2-10-12(13(18)19)16-11(17(10)7-9)5-8-3-4-15-6-8/h1-2,7-8,15H,3-6H2,(H,18,19)
InChIKeyKRNUZPQOBBSMQY-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.84
Rot. Bonds3

About 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253630) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253630
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCNC2)n2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN3O2/c14-9-1-2-10-12(13(18)19)16-11(17(10)7-9)5-8-3-4-15-6-8/h1-2,7-8,15H,3-6H2,(H,18,19)
InChIKeyKRNUZPQOBBSMQY-UHFFFAOYSA-N
XLogP1.84
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253586
methyl 6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253635
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253553
6-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253410
1-chloro-6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253632
6-chloro-3-[(cyclopentylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255326
3-(2-carboxyethyl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743042
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253038
7-hydroxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254200
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253630) is 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CC2CCNC2)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KRNUZPQOBBSMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-9-1-2-10-12(13(18)19)16-11(17(10)7-9)5-8-3-4-15-6-8/h1-2,7-8,15H,3-6H2,(H,18,19).
What are the key properties of 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 279.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).