N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide

C26H27FN4O2 — CID 155556121

About N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide

N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide (PubChem CID 155556121) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
• PubChem CID: 155556121
• Molecular Formula: C26H27FN4O2
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C3CCCC3)[C@@H]2c2ccc(F)cc2)c1
• InChI: InChI=1S/C26H27FN4O2/c1-15-6-5-7-18(14-15)25(32)28-23-22(17-10-12-19(27)13-11-17)21-16(2)30-31(20-8-3-4-9-20)24(21)29-26(23)33/h5-7,10-14,20,22-23H,3-4,8-9H2,1-2H3,(H,28,32)(H,29,33)/t22-,23-/m0/s1
• InChIKey: MLTXMMPCYMQREL-GOTSBHOMSA-N
• XLogP: 4.64
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?

The IUPAC name of N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide (CID 155556121) is N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide.

What is the SMILES notation for N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?

The canonical SMILES for N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C3CCCC3)[C@@H]2c2ccc(F)cc2)c1.

What is the InChIKey of N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?

The InChIKey is MLTXMMPCYMQREL-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-15-6-5-7-18(14-15)25(32)28-23-22(17-10-12-19(27)13-11-17)21-16(2)30-31(20-8-3-4-9-20)24(21)29-26(23)33/h5-7,10-14,20,22-23H,3-4,8-9H2,1-2H3,(H,28,32)(H,29,33)/t22-,23-/m0/s1.

What are the key properties of N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide?

N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide has a molecular weight of 446.53 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S,5S)-1-cyclopentyl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide is sourced from PubChem (CID 155556121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).