N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide

C32H34F4N6O5S — CID 177013663

About N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide

N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide (PubChem CID 177013663) has the molecular formula C32H34F4N6O5S and a molecular weight of 690.72 g/mol. Its IUPAC name is N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide.

Molecular Properties

• Compound Name: N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide
• PubChem CID: 177013663
• Molecular Formula: C32H34F4N6O5S
• Molecular Weight: 690.72 g/mol
• Exact Mass: 690.22
• IUPAC Name: N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide
• SMILES: CCN1C(=O)C(NC(=O)c2cccc(C(F)(F)F)c2)C(c2ccc(F)cc2)c2c(C(=O)N3CCSC3)nn(C3CCOCC3)c21.NC=O
• InChI: InChI=1S/C31H31F4N5O4S.CH3NO/c1-2-39-28-24(26(29(42)38-12-15-45-17-38)37-40(28)22-10-13-44-14-11-22)23(18-6-8-21(32)9-7-18)25(30(39)43)36-27(41)19-4-3-5-20(16-19)31(33,34)35;2-1-3/h3-9,16,22-23,25H,2,10-15,17H2,1H3,(H,36,41);1H,(H2,2,3)
• InChIKey: QOMLQJBOMIKMOH-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 139.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.72
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide?

The IUPAC name of N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide (CID 177013663) is N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide.

What is the SMILES notation for N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide?

The canonical SMILES for N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide is CCN1C(=O)C(NC(=O)c2cccc(C(F)(F)F)c2)C(c2ccc(F)cc2)c2c(C(=O)N3CCSC3)nn(C3CCOCC3)c21.NC=O.

What is the InChIKey of N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide?

The InChIKey is QOMLQJBOMIKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F4N5O4S.CH3NO/c1-2-39-28-24(26(29(42)38-12-15-45-17-38)37-40(28)22-10-13-44-14-11-22)23(18-6-8-21(32)9-7-18)25(30(39)43)36-27(41)19-4-3-5-20(16-19)31(33,34)35;2-1-3/h3-9,16,22-23,25H,2,10-15,17H2,1H3,(H,36,41);1H,(H2,2,3).

What are the key properties of N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide?

N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide has a molecular weight of 690.72 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-ethyl-4-(4-fluorophenyl)-1-(oxan-4-yl)-6-oxo-3-(1,3-thiazolidine-3-carbonyl)-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;formamide is sourced from PubChem (CID 177013663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).