4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide

C25H24FN5O3S — CID 24962924

IUPAC4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(OC3CCCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C25H24FN5O3S/c26-18-9-7-17(8-10-18)21-13-14-22-23(29-21)24(34-19-3-1-2-4-19)31-25(30-22)28-15-16-5-11-20(12-6-16)35(27,32)33/h5-14,19H,1-4,15H2,(H2,27,32,33)(H,28,30,31)
InChIKeyWEWGTORZNHVODT-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.41
Rot. Bonds7

About 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide

4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide (PubChem CID 24962924) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
PubChem CID24962924
Molecular FormulaC25H24FN5O3S
Molecular Weight493.56 g/mol
Exact Mass493.16
IUPAC Name4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(OC3CCCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C25H24FN5O3S/c26-18-9-7-17(8-10-18)21-13-14-22-23(29-21)24(34-19-3-1-2-4-19)31-25(30-22)28-15-16-5-11-20(12-6-16)35(27,32)33/h5-14,19H,1-4,15H2,(H2,27,32,33)(H,28,30,31)
InChIKeyWEWGTORZNHVODT-UHFFFAOYSA-N
XLogP4.41
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide (CID 24962924) is 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(OC3CCCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1.
What is the InChIKey of 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The InChIKey is WEWGTORZNHVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c26-18-9-7-17(8-10-18)21-13-14-22-23(29-21)24(34-19-3-1-2-4-19)31-25(30-22)28-15-16-5-11-20(12-6-16)35(27,32)33/h5-14,19H,1-4,15H2,(H2,27,32,33)(H,28,30,31).
What are the key properties of 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide has a molecular weight of 493.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-cyclopentyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 24962924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).