5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C26H31FN4O4S — CID 91034264

IUPAC5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCCC(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(OC)N4CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C26H31FN4O4S/c1-3-21(32)16-7-8-18(20(27)13-16)22-15-19(25(28)33)26(36-22)30-23-6-4-5-17(29-23)14-24(34-2)31-9-11-35-12-10-31/h4-8,13,15,21,24,32H,3,9-12,14H2,1-2H3,(H2,28,33)(H,29,30)
InChIKeyYIAYFPDIWBEQQI-UHFFFAOYSA-N
MW514.62 g/mol
LogP4.08
Rot. Bonds10

About 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 91034264) has the molecular formula C26H31FN4O4S and a molecular weight of 514.62 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID91034264
Molecular FormulaC26H31FN4O4S
Molecular Weight514.62 g/mol
Exact Mass514.21
IUPAC Name5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCCC(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(OC)N4CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C26H31FN4O4S/c1-3-21(32)16-7-8-18(20(27)13-16)22-15-19(25(28)33)26(36-22)30-23-6-4-5-17(29-23)14-24(34-2)31-9-11-35-12-10-31/h4-8,13,15,21,24,32H,3,9-12,14H2,1-2H3,(H2,28,33)(H,29,30)
InChIKeyYIAYFPDIWBEQQI-UHFFFAOYSA-N
XLogP4.08
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-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-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 91034264) is 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CCC(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(OC)N4CCOCC4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is YIAYFPDIWBEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4S/c1-3-21(32)16-7-8-18(20(27)13-16)22-15-19(25(28)33)26(36-22)30-23-6-4-5-17(29-23)14-24(34-2)31-9-11-35-12-10-31/h4-8,13,15,21,24,32H,3,9-12,14H2,1-2H3,(H2,28,33)(H,29,30).
What are the key properties of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 514.62 g/mol, XLogP of 4.08, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-(2-methoxy-2-morpholin-4-ylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 91034264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).