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

C16H15F2N5O2S — CID 19281073

IUPAC6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cn1
InChIInChI=1S/C16H15F2N5O2S/c1-3-23-6-8(5-20-23)15(25)22-11-10-7(2)4-9(13(17)18)21-16(10)26-12(11)14(19)24/h4-6,13H,3H2,1-2H3,(H2,19,24)(H,22,25)
InChIKeyOSNIAGMTMRIRLW-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.11
Rot. Bonds5

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

6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19281073) has the molecular formula C16H15F2N5O2S and a molecular weight of 379.39 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19281073
Molecular FormulaC16H15F2N5O2S
Molecular Weight379.39 g/mol
Exact Mass379.09
IUPAC Name6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cn1
InChIInChI=1S/C16H15F2N5O2S/c1-3-23-6-8(5-20-23)15(25)22-11-10-7(2)4-9(13(17)18)21-16(10)26-12(11)14(19)24/h4-6,13H,3H2,1-2H3,(H2,19,24)(H,22,25)
InChIKeyOSNIAGMTMRIRLW-UHFFFAOYSA-N
XLogP3.11
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19281073) is 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is CCn1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cn1.
What is the InChIKey of 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OSNIAGMTMRIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2S/c1-3-23-6-8(5-20-23)15(25)22-11-10-7(2)4-9(13(17)18)21-16(10)26-12(11)14(19)24/h4-6,13H,3H2,1-2H3,(H2,19,24)(H,22,25).
What are the key properties of 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19281073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).