(3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

C34H34N6O5 — CID 146524158

About (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid

(3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (PubChem CID 146524158) has the molecular formula C34H34N6O5 and a molecular weight of 606.68 g/mol. Its IUPAC name is (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
• PubChem CID: 146524158
• Molecular Formula: C34H34N6O5
• Molecular Weight: 606.68 g/mol
• Exact Mass: 606.26
• IUPAC Name: (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
• SMILES: COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)O)C2)c(OC)c1
• InChI: InChI=1S/C34H34N6O5/c1-44-27-15-14-24(29(19-27)45-2)20-36-32-30-28(16-17-35-32)40(26-9-6-18-39(21-26)34(42)43)38-31(30)22-10-12-23(13-11-22)33(41)37-25-7-4-3-5-8-25/h3-5,7-8,10-17,19,26H,6,9,18,20-21H2,1-2H3,(H,35,36)(H,37,41)(H,42,43)/t26-/m1/s1
• InChIKey: WRDYWYBVJIPCCO-AREMUKBSSA-N
• XLogP: 6.29
• TPSA: 130.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.68
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The IUPAC name of (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid (CID 146524158) is (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The canonical SMILES for (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)O)C2)c(OC)c1.

What is the InChIKey of (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

The InChIKey is WRDYWYBVJIPCCO-AREMUKBSSA-N. The full InChI is InChI=1S/C34H34N6O5/c1-44-27-15-14-24(29(19-27)45-2)20-36-32-30-28(16-17-35-32)40(26-9-6-18-39(21-26)34(42)43)38-31(30)22-10-12-23(13-11-22)33(41)37-25-7-4-3-5-8-25/h3-5,7-8,10-17,19,26H,6,9,18,20-21H2,1-2H3,(H,35,36)(H,37,41)(H,42,43)/t26-/m1/s1.

What are the key properties of (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid?

(3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 606.68 g/mol, XLogP of 6.29, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146524158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).