1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

C25H28FN3O6S — CID 156738529

IUPAC1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
SMILESCOc1cc(-c2cc(F)cc(C(C)C3CC3)c2NC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C25H28FN3O6S/c1-14(15-5-6-15)19-11-18(26)12-20(16-7-8-27-21(9-16)34-4)23(19)28-24(30)29-36(32,33)22-10-17(13-35-22)25(2,3)31/h7-15,31H,5-6H2,1-4H3,(H2,28,29,30)
InChIKeyKFZGUQVXOTVSFV-UHFFFAOYSA-N
MW517.58 g/mol
LogP4.74
Rot. Bonds8

About 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea (PubChem CID 156738529) has the molecular formula C25H28FN3O6S and a molecular weight of 517.58 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
PubChem CID156738529
Molecular FormulaC25H28FN3O6S
Molecular Weight517.58 g/mol
Exact Mass517.17
IUPAC Name1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
SMILESCOc1cc(-c2cc(F)cc(C(C)C3CC3)c2NC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C25H28FN3O6S/c1-14(15-5-6-15)19-11-18(26)12-20(16-7-8-27-21(9-16)34-4)23(19)28-24(30)29-36(32,33)22-10-17(13-35-22)25(2,3)31/h7-15,31H,5-6H2,1-4H3,(H2,28,29,30)
InChIKeyKFZGUQVXOTVSFV-UHFFFAOYSA-N
XLogP4.74
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.58
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea 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 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The IUPAC name of 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea (CID 156738529) is 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea.
What is the SMILES notation for 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The canonical SMILES for 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea is COc1cc(-c2cc(F)cc(C(C)C3CC3)c2NC(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1.
What is the InChIKey of 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
The InChIKey is KFZGUQVXOTVSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O6S/c1-14(15-5-6-15)19-11-18(26)12-20(16-7-8-27-21(9-16)34-4)23(19)28-24(30)29-36(32,33)22-10-17(13-35-22)25(2,3)31/h7-15,31H,5-6H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea?
1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea has a molecular weight of 517.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethyl)-4-fluoro-6-(2-methoxy-4-pyridinyl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea is sourced from PubChem (CID 156738529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).