(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C18H19N5O3 — CID 97270890

About (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97270890) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 97270890
• Molecular Formula: C18H19N5O3
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.15
• IUPAC Name: (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: COc1ccccc1-n1cc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)cn1
• InChI: InChI=1S/C18H19N5O3/c1-26-17-5-3-2-4-15(17)23-9-12(7-21-23)8-22-10-14-13(19-11-20-14)6-16(22)18(24)25/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,19,20)(H,24,25)/t16-/m0/s1
• InChIKey: UVEBCARLJFIQLA-INIZCTEOSA-N
• XLogP: 1.62
• TPSA: 96.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97270890) is (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccccc1-n1cc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)cn1.

What is the InChIKey of (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is UVEBCARLJFIQLA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-17-5-3-2-4-15(17)23-9-12(7-21-23)8-22-10-14-13(19-11-20-14)6-16(22)18(24)25/h2-5,7,9,11,16H,6,8,10H2,1H3,(H,19,20)(H,24,25)/t16-/m0/s1.

What are the key properties of (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97270890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).