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

C25H28FN5O3S — CID 25126497

IUPAC5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCN(C)C4=O)n3)s2)c(F)c1
InChIInChI=1S/C25H28FN5O3S/c1-14(13-32)15-6-7-17(19(26)10-15)21-11-18(23(27)33)24(35-21)30-22-5-3-4-16(29-22)12-28-20-8-9-31(2)25(20)34/h3-7,10-11,14,20,28,32H,8-9,12-13H2,1-2H3,(H2,27,33)(H,29,30)
InChIKeyAYYAAVXREDPJEM-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.21
Rot. Bonds9

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

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25126497) has the molecular formula C25H28FN5O3S and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25126497
Molecular FormulaC25H28FN5O3S
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCN(C)C4=O)n3)s2)c(F)c1
InChIInChI=1S/C25H28FN5O3S/c1-14(13-32)15-6-7-17(19(26)10-15)21-11-18(23(27)33)24(35-21)30-22-5-3-4-16(29-22)12-28-20-8-9-31(2)25(20)34/h3-7,10-11,14,20,28,32H,8-9,12-13H2,1-2H3,(H2,27,33)(H,29,30)
InChIKeyAYYAAVXREDPJEM-UHFFFAOYSA-N
XLogP3.21
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]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-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25126497) is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCN(C)C4=O)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is AYYAAVXREDPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3S/c1-14(13-32)15-6-7-17(19(26)10-15)21-11-18(23(27)33)24(35-21)30-22-5-3-4-16(29-22)12-28-20-8-9-31(2)25(20)34/h3-7,10-11,14,20,28,32H,8-9,12-13H2,1-2H3,(H2,27,33)(H,29,30).
What are the key properties of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.21, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25126497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).