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

C18H13F2N5O3S — CID 19262675

IUPAC6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C18H13F2N5O3S/c1-25-5-4-9(24-25)17(27)23-13-12-8(11-3-2-6-28-11)7-10(15(19)20)22-18(12)29-14(13)16(21)26/h2-7,15H,1H3,(H2,21,26)(H,23,27)
InChIKeyZFJRRQVLNOLIDL-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.58
Rot. Bonds5

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

6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19262675) has the molecular formula C18H13F2N5O3S and a molecular weight of 417.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19262675
Molecular FormulaC18H13F2N5O3S
Molecular Weight417.40 g/mol
Exact Mass417.07
IUPAC Name6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C18H13F2N5O3S/c1-25-5-4-9(24-25)17(27)23-13-12-8(11-3-2-6-28-11)7-10(15(19)20)22-18(12)29-14(13)16(21)26/h2-7,15H,1H3,(H2,21,26)(H,23,27)
InChIKeyZFJRRQVLNOLIDL-UHFFFAOYSA-N
XLogP3.58
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19262675) is 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is Cn1ccc(C(=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-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZFJRRQVLNOLIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O3S/c1-25-5-4-9(24-25)17(27)23-13-12-8(11-3-2-6-28-11)7-10(15(19)20)22-18(12)29-14(13)16(21)26/h2-7,15H,1H3,(H2,21,26)(H,23,27).
What are the key properties of 6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 3.58, 5 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-[(1-methylpyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).