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

C24H15Cl2F2N5O2S2 — CID 19513783

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

3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19513783) has the molecular formula C24H15Cl2F2N5O2S2 and a molecular weight of 578.45 g/mol. Its IUPAC name is 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19513783
• Molecular Formula: C24H15Cl2F2N5O2S2
• Molecular Weight: 578.45 g/mol
• Exact Mass: 577.00
• IUPAC Name: 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-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(Cl)c(Cl)c5)n[nH]4)c23)s1
• InChI: InChI=1S/C24H15Cl2F2N5O2S2/c1-9-2-5-17(36-9)11-7-15(21(27)28)30-24-18(11)19(20(37-24)22(29)34)31-23(35)16-8-14(32-33-16)10-3-4-12(25)13(26)6-10/h2-8,21H,1H3,(H2,29,34)(H,31,35)(H,32,33)
• InChIKey: VQHBOHYVHWFNLK-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.45
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19513783) is 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-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(Cl)c(Cl)c5)n[nH]4)c23)s1.

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

The InChIKey is VQHBOHYVHWFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2F2N5O2S2/c1-9-2-5-17(36-9)11-7-15(21(27)28)30-24-18(11)19(20(37-24)22(29)34)31-23(35)16-8-14(32-33-16)10-3-4-12(25)13(26)6-10/h2-8,21H,1H3,(H2,29,34)(H,31,35)(H,32,33).

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

3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 578.45 g/mol, XLogP of 7.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).