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

C27H25FN4O2S — CID 155424575

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

N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-4-methylthiophene-2-carboxamide (PubChem CID 155424575) has the molecular formula C27H25FN4O2S and a molecular weight of 488.59 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]-4-methylthiophene-2-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]-4-methylthiophene-2-carboxamide
• PubChem CID: 155424575
• Molecular Formula: C27H25FN4O2S
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.17
• 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]-4-methylthiophene-2-carboxamide
• SMILES: CCN1C(=O)[C@@H](NC(=O)c2cc(C)cs2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
• InChI: InChI=1S/C27H25FN4O2S/c1-4-31-26-22(17(3)30-32(26)20-8-6-5-7-9-20)23(18-10-12-19(28)13-11-18)24(27(31)34)29-25(33)21-14-16(2)15-35-21/h5-15,23-24H,4H2,1-3H3,(H,29,33)/t23-,24-/m0/s1
• InChIKey: RMEBHKLZNBGYHS-ZEQRLZLVSA-N
• XLogP: 4.99
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]-4-methylthiophene-2-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]-4-methylthiophene-2-carboxamide (CID 155424575) is N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-4-methylthiophene-2-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]-4-methylthiophene-2-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]-4-methylthiophene-2-carboxamide is CCN1C(=O)[C@@H](NC(=O)c2cc(C)cs2)[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]-4-methylthiophene-2-carboxamide?

The InChIKey is RMEBHKLZNBGYHS-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H25FN4O2S/c1-4-31-26-22(17(3)30-32(26)20-8-6-5-7-9-20)23(18-10-12-19(28)13-11-18)24(27(31)34)29-25(33)21-14-16(2)15-35-21/h5-15,23-24H,4H2,1-3H3,(H,29,33)/t23-,24-/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]-4-methylthiophene-2-carboxamide?

N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 155424575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).