2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide

C24H26F2N4O3S — CID 70842594

IUPAC2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
SMILESCC(C)(O)c1cc(F)c(C2CC(C(N)=O)=C(Nc3cccc(CN4CCCC4=O)n3)S2)c(F)c1
InChIInChI=1S/C24H26F2N4O3S/c1-24(2,33)13-9-16(25)21(17(26)10-13)18-11-15(22(27)32)23(34-18)29-19-6-3-5-14(28-19)12-30-8-4-7-20(30)31/h3,5-6,9-10,18,33H,4,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyJVEXMLVWCQFNFE-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.70
Rot. Bonds7

About 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide

2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (PubChem CID 70842594) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
PubChem CID70842594
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide
SMILESCC(C)(O)c1cc(F)c(C2CC(C(N)=O)=C(Nc3cccc(CN4CCCC4=O)n3)S2)c(F)c1
InChIInChI=1S/C24H26F2N4O3S/c1-24(2,33)13-9-16(25)21(17(26)10-13)18-11-15(22(27)32)23(34-18)29-19-6-3-5-14(28-19)12-30-8-4-7-20(30)31/h3,5-6,9-10,18,33H,4,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyJVEXMLVWCQFNFE-UHFFFAOYSA-N
XLogP3.70
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[2-(dimethylamino)ethyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]amino]thiophene-3-carboxamide
CID 44554282
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554283
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554284
2-[(6,7-Dihydro-6-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-3-thiophenecarboxamide
CID 44554285
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-oxo-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554461
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-methyl-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554635
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525690
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[(dimethylamino)methyl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525704
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525737
5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-oxopyrrolidin-1-yl)methyl]pyridine-2-yl}amino)thiophene-3-carboxamide
CID 59525750
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525855
5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-({[(1-methyl-5-oxopyrrolidin-2-yl)methyl]amino}methyl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525952

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?
The IUPAC name of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide (CID 70842594) is 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide.
What is the SMILES notation for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?
The canonical SMILES for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is CC(C)(O)c1cc(F)c(C2CC(C(N)=O)=C(Nc3cccc(CN4CCCC4=O)n3)S2)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?
The InChIKey is JVEXMLVWCQFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-24(2,33)13-9-16(25)21(17(26)10-13)18-11-15(22(27)32)23(34-18)29-19-6-3-5-14(28-19)12-30-8-4-7-20(30)31/h3,5-6,9-10,18,33H,4,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29).
What are the key properties of 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide?
2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-2,3-dihydrothiophene-4-carboxamide is sourced from PubChem (CID 70842594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).