5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C24H25FN4O3S — CID 59525750

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCCC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H25FN4O3S/c1-24(2,32)14-8-9-16(18(25)11-14)19-12-17(22(26)31)23(33-19)28-20-6-3-5-15(27-20)13-29-10-4-7-21(29)30/h3,5-6,8-9,11-12,32H,4,7,10,13H2,1-2H3,(H2,26,31)(H,27,28)
InChIKeyKZVJNVGKVGBMLQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.14
Rot. Bonds7

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525750) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525750
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCCC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H25FN4O3S/c1-24(2,32)14-8-9-16(18(25)11-14)19-12-17(22(26)31)23(33-19)28-20-6-3-5-15(27-20)13-29-10-4-7-21(29)30/h3,5-6,8-9,11-12,32H,4,7,10,13H2,1-2H3,(H2,26,31)(H,27,28)
InChIKeyKZVJNVGKVGBMLQ-UHFFFAOYSA-N
XLogP4.14
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-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 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525750) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCCC4=O)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KZVJNVGKVGBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-24(2,32)14-8-9-16(18(25)11-14)19-12-17(22(26)31)23(33-19)28-20-6-3-5-15(27-20)13-29-10-4-7-21(29)30/h3,5-6,8-9,11-12,32H,4,7,10,13H2,1-2H3,(H2,26,31)(H,27,28).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).