N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide

C26H24FN5O2S — CID 155424528

About N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 155424528) has the molecular formula C26H24FN5O2S and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 155424528
• Molecular Formula: C26H24FN5O2S
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.16
• IUPAC Name: N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: CCN1C(=O)[C@@H](NC(=O)c2csc(C)n2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
• InChI: InChI=1S/C26H24FN5O2S/c1-4-31-25-21(15(2)30-32(25)19-8-6-5-7-9-19)22(17-10-12-18(27)13-11-17)23(26(31)34)29-24(33)20-14-35-16(3)28-20/h5-14,22-23H,4H2,1-3H3,(H,29,33)/t22-,23-/m0/s1
• InChIKey: NXGDUNUKVRQZOO-GOTSBHOMSA-N
• XLogP: 4.38
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 155424528) is N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide is CCN1C(=O)[C@@H](NC(=O)c2csc(C)n2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21.

What is the InChIKey of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is NXGDUNUKVRQZOO-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H24FN5O2S/c1-4-31-25-21(15(2)30-32(25)19-8-6-5-7-9-19)22(17-10-12-18(27)13-11-17)23(26(31)34)29-24(33)20-14-35-16(3)28-20/h5-14,22-23H,4H2,1-3H3,(H,29,33)/t22-,23-/m0/s1.

What are the key properties of N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide?

N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155424528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).