3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C25H17ClF7N7O3S — CID 19413984

About 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19413984) has the molecular formula C25H17ClF7N7O3S and a molecular weight of 663.96 g/mol. Its IUPAC name is 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19413984
• Molecular Formula: C25H17ClF7N7O3S
• Molecular Weight: 663.96 g/mol
• Exact Mass: 663.07
• IUPAC Name: 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(Cn5nc(C(F)F)c(Cl)c5C(F)F)o4)c23)cnn1C
• InChI: InChI=1S/C25H17ClF7N7O3S/c1-8-11(6-35-39(8)2)10-5-13(25(31,32)33)36-24-14(10)16(19(44-24)22(34)41)37-23(42)12-4-3-9(43-12)7-40-18(21(29)30)15(26)17(38-40)20(27)28/h3-6,20-21H,7H2,1-2H3,(H2,34,41)(H,37,42)
• InChIKey: ZNWDZIDXDUTLER-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 133.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.96
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19413984) is 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(Cn5nc(C(F)F)c(Cl)c5C(F)F)o4)c23)cnn1C.

What is the InChIKey of 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ZNWDZIDXDUTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF7N7O3S/c1-8-11(6-35-39(8)2)10-5-13(25(31,32)33)36-24-14(10)16(19(44-24)22(34)41)37-23(42)12-4-3-9(43-12)7-40-18(21(29)30)15(26)17(38-40)20(27)28/h3-6,20-21H,7H2,1-2H3,(H2,34,41)(H,37,42).

What are the key properties of 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 663.96 g/mol, XLogP of 6.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19413984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).