5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C24H27FN4O3S — CID 68741098

IUPAC5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C24H27FN4O3S/c1-15(30)11-16-5-6-18(20(25)12-16)21-13-19(23(26)31)24(33-21)28-22-4-2-3-17(27-22)14-29-7-9-32-10-8-29/h2-6,12-13,15,30H,7-11,14H2,1H3,(H2,26,31)(H,27,28)
InChIKeyQIFGCHJCHKUMLL-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.55
Rot. Bonds8

About 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 68741098) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID68741098
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C24H27FN4O3S/c1-15(30)11-16-5-6-18(20(25)12-16)21-13-19(23(26)31)24(33-21)28-22-4-2-3-17(27-22)14-29-7-9-32-10-8-29/h2-6,12-13,15,30H,7-11,14H2,1H3,(H2,26,31)(H,27,28)
InChIKeyQIFGCHJCHKUMLL-UHFFFAOYSA-N
XLogP3.55
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 68736644
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68738195
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[2-[[3-(fluoromethyl)morpholin-4-yl]methyl]pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 68739616
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-pyridin-1-ium-4-ylthiophene-3-carboxamide
CID 163556947
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
CID 67083877
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68739143
2-[[6-[(3,3-difluoroazetidin-1-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 59526101
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
CID 25124468
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68740270
5-ethynyl-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526270
2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 59525658

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 68741098) is 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is QIFGCHJCHKUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-15(30)11-16-5-6-18(20(25)12-16)21-13-19(23(26)31)24(33-21)28-22-4-2-3-17(27-22)14-29-7-9-32-10-8-29/h2-6,12-13,15,30H,7-11,14H2,1H3,(H2,26,31)(H,27,28).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68741098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).