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

C24H26FN5O3S — CID 59525690

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H26FN5O3S/c1-24(2,33)13-6-7-15(17(25)10-13)19-11-16(21(26)31)23(34-19)30-20-5-3-4-14(29-20)12-28-18-8-9-27-22(18)32/h3-7,10-11,18,28,33H,8-9,12H2,1-2H3,(H2,26,31)(H,27,32)(H,29,30)
InChIKeyNGWMODGLXKGOBQ-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.00
Rot. Bonds8

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525690) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-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-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525690
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1
InChIInChI=1S/C24H26FN5O3S/c1-24(2,33)13-6-7-15(17(25)10-13)19-11-16(21(26)31)23(34-19)30-20-5-3-4-14(29-20)12-28-18-8-9-27-22(18)32/h3-7,10-11,18,28,33H,8-9,12H2,1-2H3,(H2,26,31)(H,27,32)(H,29,30)
InChIKeyNGWMODGLXKGOBQ-UHFFFAOYSA-N
XLogP3.00
TPSA129.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.00
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-(2-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-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525690) is 5-[2-fluoro-4-(2-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-(2-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-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCNC4=O)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is NGWMODGLXKGOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-24(2,33)13-6-7-15(17(25)10-13)19-11-16(21(26)31)23(34-19)30-20-5-3-4-14(29-20)12-28-18-8-9-27-22(18)32/h3-7,10-11,18,28,33H,8-9,12H2,1-2H3,(H2,26,31)(H,27,32)(H,29,30).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-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 3.00, 8 rotatable bonds, 5 hydrogen bond donors, and 7 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-3-yl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).