5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C16H17N5O2 — CID 118777844

IUPAC5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc2nc(CN3CCc4[nH]nc(C(=O)O)c4C3)cn2c1
InChIInChI=1S/C16H17N5O2/c1-10-2-3-14-17-11(8-21(14)6-10)7-20-5-4-13-12(9-20)15(16(22)23)19-18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyRRSSYCVQSCEOLB-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.62
Rot. Bonds3

About 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 118777844) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID118777844
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc2nc(CN3CCc4[nH]nc(C(=O)O)c4C3)cn2c1
InChIInChI=1S/C16H17N5O2/c1-10-2-3-14-17-11(8-21(14)6-10)7-20-5-4-13-12(9-20)15(16(22)23)19-18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyRRSSYCVQSCEOLB-UHFFFAOYSA-N
XLogP1.62
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146045928
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 163334328
methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 79037670
(2S)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 83192556
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146042189
6-methyl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 17443532
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 118777844) is 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1ccc2nc(CN3CCc4[nH]nc(C(=O)O)c4C3)cn2c1.
What is the InChIKey of 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is RRSSYCVQSCEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-2-3-14-17-11(8-21(14)6-10)7-20-5-4-13-12(9-20)15(16(22)23)19-18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 311.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 118777844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).