6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C21H19F4N7O2S — CID 19519613

About 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19519613) has the molecular formula C21H19F4N7O2S and a molecular weight of 509.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19519613
• Molecular Formula: C21H19F4N7O2S
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.13
• IUPAC Name: 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)Cn4nc(C(F)F)cc4C)c23)cnn1C
• InChI: InChI=1S/C21H19F4N7O2S/c1-8-4-13(19(24)25)30-32(8)7-14(33)29-16-15-10(11-6-27-31(3)9(11)2)5-12(18(22)23)28-21(15)35-17(16)20(26)34/h4-6,18-19H,7H2,1-3H3,(H2,26,34)(H,29,33)
• InChIKey: SCYFTKANAROXIX-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19519613) is 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)Cn4nc(C(F)F)cc4C)c23)cnn1C.

What is the InChIKey of 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is SCYFTKANAROXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O2S/c1-8-4-13(19(24)25)30-32(8)7-14(33)29-16-15-10(11-6-27-31(3)9(11)2)5-12(18(22)23)28-21(15)35-17(16)20(26)34/h4-6,18-19H,7H2,1-3H3,(H2,26,34)(H,29,33).

What are the key properties of 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19519613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).