6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C21H19F2N5O2S2 — CID 19559829

IUPAC6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cnn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)c1
InChIInChI=1S/C21H19F2N5O2S2/c1-10-8-25-28(9-10)6-5-15(29)27-17-16-12(14-4-3-11(2)31-14)7-13(19(22)23)26-21(16)32-18(17)20(24)30/h3-4,7-9,19H,5-6H2,1-2H3,(H2,24,30)(H,27,29)
InChIKeyGNYZSRHJFBWZDO-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.90
Rot. Bonds7

About 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19559829) has the molecular formula C21H19F2N5O2S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19559829
Molecular FormulaC21H19F2N5O2S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Name6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cnn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)c1
InChIInChI=1S/C21H19F2N5O2S2/c1-10-8-25-28(9-10)6-5-15(29)27-17-16-12(14-4-3-11(2)31-14)7-13(19(22)23)26-21(16)32-18(17)20(24)30/h3-4,7-9,19H,5-6H2,1-2H3,(H2,24,30)(H,27,29)
InChIKeyGNYZSRHJFBWZDO-UHFFFAOYSA-N
XLogP4.90
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559783
6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19563767
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-[3-(3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559479
6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[2-(4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19534288
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19550061
6-(difluoromethyl)-3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19515882
6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19264752
6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19569930
6-(difluoromethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557663
3-[3-(4-chloropyrazol-1-yl)propanoylamino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19539644
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19539969

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19559829) is 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cnn(CCC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)c1.
What is the InChIKey of 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GNYZSRHJFBWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2S2/c1-10-8-25-28(9-10)6-5-15(29)27-17-16-12(14-4-3-11(2)31-14)7-13(19(22)23)26-21(16)32-18(17)20(24)30/h3-4,7-9,19H,5-6H2,1-2H3,(H2,24,30)(H,27,29).
What are the key properties of 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19559829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).