7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C12H12BrN3O2 — CID 117255473

IUPAC7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CNC2CC2)n2ccc(Br)cc12
InChIInChI=1S/C12H12BrN3O2/c13-7-3-4-16-9(5-7)11(12(17)18)15-10(16)6-14-8-1-2-8/h3-5,8,14H,1-2,6H2,(H,17,18)
InChIKeySZSFBQCCTKUFAW-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.05
Rot. Bonds4

About 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255473) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255473
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CNC2CC2)n2ccc(Br)cc12
InChIInChI=1S/C12H12BrN3O2/c13-7-3-4-16-9(5-7)11(12(17)18)15-10(16)6-14-8-1-2-8/h3-5,8,14H,1-2,6H2,(H,17,18)
InChIKeySZSFBQCCTKUFAW-UHFFFAOYSA-N
XLogP2.05
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414
3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255381
6-chloro-3-[(cyclopentylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255326
3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257305
N-[(7-bromoimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropanamine
CID 117256313
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254492
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
3-(azetidin-3-ylmethyl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254174
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255473) is 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CNC2CC2)n2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is SZSFBQCCTKUFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-7-3-4-16-9(5-7)11(12(17)18)15-10(16)6-14-8-1-2-8/h3-5,8,14H,1-2,6H2,(H,17,18).
What are the key properties of 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).