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

C13H15N3O3 — CID 117255414

IUPAC3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccn2c(CNC3CC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O3/c1-19-9-4-5-16-10(6-9)12(13(17)18)15-11(16)7-14-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,17,18)
InChIKeyDQUPBMQWKGNMCW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.29
Rot. Bonds5

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

3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255414) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255414
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccn2c(CNC3CC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H15N3O3/c1-19-9-4-5-16-10(6-9)12(13(17)18)15-11(16)7-14-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,17,18)
InChIKeyDQUPBMQWKGNMCW-UHFFFAOYSA-N
XLogP1.29
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-3-[(cyclopropylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255473
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254425
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
3-[(cyclopropylamino)methyl]-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255381
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
3-[(cyclooctylamino)methyl]-1-ethyl-6-methoxyindole-2-carboxylic acid
CID 53208669
1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117254464
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-6-methoxyindole-2-carboxylic acid
CID 53208611
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255414) is 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is COc1ccn2c(CNC3CC3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is DQUPBMQWKGNMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-9-4-5-16-10(6-9)12(13(17)18)15-11(16)7-14-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).