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

C19H15F2N5O3S — CID 19517057

IUPAC6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H15F2N5O3S/c1-9-4-5-26(25-9)8-13(27)24-15-14-10(12-3-2-6-29-12)7-11(17(20)21)23-19(14)30-16(15)18(22)28/h2-7,17H,8H2,1H3,(H2,22,28)(H,24,27)
InChIKeyLNEVUQHBKJCFSX-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.74
Rot. Bonds6

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19517057) has the molecular formula C19H15F2N5O3S and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19517057
Molecular FormulaC19H15F2N5O3S
Molecular Weight431.42 g/mol
Exact Mass431.09
IUPAC Name6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H15F2N5O3S/c1-9-4-5-26(25-9)8-13(27)24-15-14-10(12-3-2-6-29-12)7-11(17(20)21)23-19(14)30-16(15)18(22)28/h2-7,17H,8H2,1H3,(H2,22,28)(H,24,27)
InChIKeyLNEVUQHBKJCFSX-UHFFFAOYSA-N
XLogP3.74
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517359
6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517059
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517013
6-(difluoromethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557663
3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19529808
6-(difluoromethyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280637
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559479
ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267236
6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19269494
3-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19519904
3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 17024715
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19530980

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19517057) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LNEVUQHBKJCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S/c1-9-4-5-26(25-9)8-13(27)24-15-14-10(12-3-2-6-29-12)7-11(17(20)21)23-19(14)30-16(15)18(22)28/h2-7,17H,8H2,1H3,(H2,22,28)(H,24,27).
What are the key properties of 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19517057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).