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

C19H15F2N5O3S — CID 19262400

IUPAC6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H15F2N5O3S/c1-2-26-6-5-10(25-26)18(28)24-14-13-9(12-4-3-7-29-12)8-11(16(20)21)23-19(13)30-15(14)17(22)27/h3-8,16H,2H2,1H3,(H2,22,27)(H,24,28)
InChIKeyPLFSSLJHCSMEEA-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.06
Rot. Bonds6

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

6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19262400) has the molecular formula C19H15F2N5O3S and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19262400
Molecular FormulaC19H15F2N5O3S
Molecular Weight431.42 g/mol
Exact Mass431.09
IUPAC Name6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1
InChIInChI=1S/C19H15F2N5O3S/c1-2-26-6-5-10(25-26)18(28)24-14-13-9(12-4-3-7-29-12)8-11(16(20)21)23-19(13)30-15(14)17(22)27/h3-8,16H,2H2,1H3,(H2,22,27)(H,24,28)
InChIKeyPLFSSLJHCSMEEA-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)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 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19262400) is 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is CCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PLFSSLJHCSMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S/c1-2-26-6-5-10(25-26)18(28)24-14-13-9(12-4-3-7-29-12)8-11(16(20)21)23-19(13)30-15(14)17(22)27/h3-8,16H,2H2,1H3,(H2,22,27)(H,24,28).
What are the key properties of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19262400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).