6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C24H16F3N5O2S2 — CID 19514703

About 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19514703) has the molecular formula C24H16F3N5O2S2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19514703
• Molecular Formula: C24H16F3N5O2S2
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.07
• IUPAC Name: 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5ccc(F)cc5)n[nH]4)c23)s1
• InChI: InChI=1S/C24H16F3N5O2S2/c1-10-2-7-17(35-10)13-8-15(21(26)27)29-24-18(13)19(20(36-24)22(28)33)30-23(34)16-9-14(31-32-16)11-3-5-12(25)6-4-11/h2-9,21H,1H3,(H2,28,33)(H,30,34)(H,31,32)
• InChIKey: PQPDJMBVVMICJA-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19514703) is 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5ccc(F)cc5)n[nH]4)c23)s1.

What is the InChIKey of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is PQPDJMBVVMICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2S2/c1-10-2-7-17(35-10)13-8-15(21(26)27)29-24-18(13)19(20(36-24)22(28)33)30-23(34)16-9-14(31-32-16)11-3-5-12(25)6-4-11/h2-9,21H,1H3,(H2,28,33)(H,30,34)(H,31,32).

What are the key properties of 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 527.55 g/mol, XLogP of 6.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19514703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).