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

C24H17F2N5O4S — CID 19509896

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509896) has the molecular formula C24H17F2N5O4S and a molecular weight of 509.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19509896
• Molecular Formula: C24H17F2N5O4S
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.10
• IUPAC Name: 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccco5)c34)[nH]n2)c1
• InChI: InChI=1S/C24H17F2N5O4S/c1-34-12-5-2-4-11(8-12)14-10-16(31-30-14)23(33)29-19-18-13(17-6-3-7-35-17)9-15(21(25)26)28-24(18)36-20(19)22(27)32/h2-10,21H,1H3,(H2,27,32)(H,29,33)(H,30,31)
• InChIKey: OGNYOEXCNVEOGD-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 136.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19509896) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccco5)c34)[nH]n2)c1.

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

The InChIKey is OGNYOEXCNVEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O4S/c1-34-12-5-2-4-11(8-12)14-10-16(31-30-14)23(33)29-19-18-13(17-6-3-7-35-17)9-15(21(25)26)28-24(18)36-20(19)22(27)32/h2-10,21H,1H3,(H2,27,32)(H,29,33)(H,30,31).

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).