4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid

C32H33F2N5O3 — CID 118952366

About 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid

4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 118952366) has the molecular formula C32H33F2N5O3 and a molecular weight of 573.64 g/mol. Its IUPAC name is 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid
• PubChem CID: 118952366
• Molecular Formula: C32H33F2N5O3
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.26
• IUPAC Name: 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid
• SMILES: CC(c1ccccc1)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)(C(=O)O)CC1
• InChI: InChI=1S/C32H33F2N5O3/c1-21(22-6-3-2-4-7-22)37-16-12-32(13-17-37,31(41)42)36-30(40)26-20-35-39-15-11-24(19-29(26)39)38-14-5-8-28(38)25-18-23(33)9-10-27(25)34/h2-4,6-7,9-11,15,18-21,28H,5,8,12-14,16-17H2,1H3,(H,36,40)(H,41,42)
• InChIKey: BZYHMKJSZBBRKH-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 90.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid?

The IUPAC name of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid (CID 118952366) is 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid.

What is the SMILES notation for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid?

The canonical SMILES for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid is CC(c1ccccc1)N1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)(C(=O)O)CC1.

What is the InChIKey of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid?

The InChIKey is BZYHMKJSZBBRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N5O3/c1-21(22-6-3-2-4-7-22)37-16-12-32(13-17-37,31(41)42)36-30(40)26-20-35-39-15-11-24(19-29(26)39)38-14-5-8-28(38)25-18-23(33)9-10-27(25)34/h2-4,6-7,9-11,15,18-21,28H,5,8,12-14,16-17H2,1H3,(H,36,40)(H,41,42).

What are the key properties of 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid?

4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 573.64 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-1-(1-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118952366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).