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

C24H26FN5O3S — CID 25126498

IUPAC5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H26FN5O3S/c1-13(12-31)14-5-6-16(18(25)9-14)20-10-17(22(26)32)24(34-20)30-21-4-2-3-15(29-21)11-28-19-7-8-27-23(19)33/h2-6,9-10,13,19,28,31H,7-8,11-12H2,1H3,(H2,26,32)(H,27,33)(H,29,30)
InChIKeyWMSWEOWPSWJBTF-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.87
Rot. Bonds9

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

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25126498) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(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-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25126498
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H26FN5O3S/c1-13(12-31)14-5-6-16(18(25)9-14)20-10-17(22(26)32)24(34-20)30-21-4-2-3-15(29-21)11-28-19-7-8-27-23(19)33/h2-6,9-10,13,19,28,31H,7-8,11-12H2,1H3,(H2,26,32)(H,27,33)(H,29,30)
InChIKeyWMSWEOWPSWJBTF-UHFFFAOYSA-N
XLogP2.87
TPSA129.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(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-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25126498) is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(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-[[(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-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is WMSWEOWPSWJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-13(12-31)14-5-6-16(18(25)9-14)20-10-17(22(26)32)24(34-20)30-21-4-2-3-15(29-21)11-28-19-7-8-27-23(19)33/h2-6,9-10,13,19,28,31H,7-8,11-12H2,1H3,(H2,26,32)(H,27,33)(H,29,30).
What are the key properties of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.87, 9 rotatable bonds, 5 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-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25126498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).