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

C20H17F2N5O2S2 — CID 19517059

IUPAC6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)n1
InChIInChI=1S/C20H17F2N5O2S2/c1-9-5-6-27(26-9)8-14(28)25-16-15-11(13-4-3-10(2)30-13)7-12(18(21)22)24-20(15)31-17(16)19(23)29/h3-7,18H,8H2,1-2H3,(H2,23,29)(H,25,28)
InChIKeyINCSLXUVRYSEOY-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.51
Rot. Bonds6

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

6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19517059) has the molecular formula C20H17F2N5O2S2 and a molecular weight of 461.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19517059
Molecular FormulaC20H17F2N5O2S2
Molecular Weight461.52 g/mol
Exact Mass461.08
IUPAC Name6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)n1
InChIInChI=1S/C20H17F2N5O2S2/c1-9-5-6-27(26-9)8-14(28)25-16-15-11(13-4-3-10(2)30-13)7-12(18(21)22)24-20(15)31-17(16)19(23)29/h3-7,18H,8H2,1-2H3,(H2,23,29)(H,25,28)
InChIKeyINCSLXUVRYSEOY-UHFFFAOYSA-N
XLogP4.51
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517013
6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517057
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)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19559829
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)-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)-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-(1-ethyl-5-methylpyrazol-4-yl)-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19530980
6-(difluoromethyl)-3-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19275214
3-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19275798
6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19514703
6-(difluoromethyl)-3-[[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19456013

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19517059) is 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccc(C)s4)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is INCSLXUVRYSEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2S2/c1-9-5-6-27(26-9)8-14(28)25-16-15-11(13-4-3-10(2)30-13)7-12(18(21)22)24-20(15)31-17(16)19(23)29/h3-7,18H,8H2,1-2H3,(H2,23,29)(H,25,28).
What are the key properties of 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19517059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).