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

C24H25FN6O4S — CID 59525666

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(O)c4cn(CCO)nn4)n3)s2)c(F)c1
InChIInChI=1S/C24H25FN6O4S/c1-24(2,35)13-6-7-14(16(25)10-13)19-11-15(22(26)34)23(36-19)28-20-5-3-4-17(27-20)21(33)18-12-31(8-9-32)30-29-18/h3-7,10-12,21,32-33,35H,8-9H2,1-2H3,(H2,26,34)(H,27,28)
InChIKeySOUIYAXZEZVOPQ-UHFFFAOYSA-N
MW512.57 g/mol
LogP2.68
Rot. Bonds9

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525666) has the molecular formula C24H25FN6O4S and a molecular weight of 512.57 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525666
Molecular FormulaC24H25FN6O4S
Molecular Weight512.57 g/mol
Exact Mass512.16
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(O)c4cn(CCO)nn4)n3)s2)c(F)c1
InChIInChI=1S/C24H25FN6O4S/c1-24(2,35)13-6-7-14(16(25)10-13)19-11-15(22(26)34)23(36-19)28-20-5-3-4-17(27-20)21(33)18-12-31(8-9-32)30-29-18/h3-7,10-12,21,32-33,35H,8-9H2,1-2H3,(H2,26,34)(H,27,28)
InChIKeySOUIYAXZEZVOPQ-UHFFFAOYSA-N
XLogP2.68
TPSA159.41 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-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-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525666) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-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-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(O)c4cn(CCO)nn4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is SOUIYAXZEZVOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4S/c1-24(2,35)13-6-7-14(16(25)10-13)19-11-15(22(26)34)23(36-19)28-20-5-3-4-17(27-20)21(33)18-12-31(8-9-32)30-29-18/h3-7,10-12,21,32-33,35H,8-9H2,1-2H3,(H2,26,34)(H,27,28).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.68, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[hydroxy-[1-(2-hydroxyethyl)triazol-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).