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

C18H12F3N5O3S — CID 19262626

IUPAC4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C18H12F3N5O3S/c1-26-5-4-9(25-26)16(28)24-13-12-8(10-3-2-6-29-10)7-11(18(19,20)21)23-17(12)30-14(13)15(22)27/h2-7H,1H3,(H2,22,27)(H,24,28)
InChIKeyVNEZKRCRKBDPIP-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.66
Rot. Bonds4

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

4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19262626) has the molecular formula C18H12F3N5O3S and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19262626
Molecular FormulaC18H12F3N5O3S
Molecular Weight435.39 g/mol
Exact Mass435.06
IUPAC Name4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C18H12F3N5O3S/c1-26-5-4-9(25-26)16(28)24-13-12-8(10-3-2-6-29-10)7-11(18(19,20)21)23-17(12)30-14(13)15(22)27/h2-7H,1H3,(H2,22,27)(H,24,28)
InChIKeyVNEZKRCRKBDPIP-UHFFFAOYSA-N
XLogP3.66
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19262626) is 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(-c4ccco4)c23)n1.
What is the InChIKey of 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VNEZKRCRKBDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3S/c1-26-5-4-9(25-26)16(28)24-13-12-8(10-3-2-6-29-10)7-11(18(19,20)21)23-17(12)30-14(13)15(22)27/h2-7H,1H3,(H2,22,27)(H,24,28).
What are the key properties of 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-[(1-methylpyrazole-3-carbonyl)amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19262626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).