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

C24H22FN5O3S — CID 24962925

IUPAC4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(OC3CCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C24H22FN5O3S/c25-17-8-6-16(7-9-17)20-12-13-21-22(28-20)23(33-18-2-1-3-18)30-24(29-21)27-14-15-4-10-19(11-5-15)34(26,31)32/h4-13,18H,1-3,14H2,(H2,26,31,32)(H,27,29,30)
InChIKeyODIVGJTZLJKWNA-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.02
Rot. Bonds7

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

4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide (PubChem CID 24962925) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
PubChem CID24962925
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC Name4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(OC3CCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1
InChIInChI=1S/C24H22FN5O3S/c25-17-8-6-16(7-9-17)20-12-13-21-22(28-20)23(33-18-2-1-3-18)30-24(29-21)27-14-15-4-10-19(11-5-15)34(26,31)32/h4-13,18H,1-3,14H2,(H2,26,31,32)(H,27,29,30)
InChIKeyODIVGJTZLJKWNA-UHFFFAOYSA-N
XLogP4.02
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide (CID 24962925) is 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(OC3CCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1.
What is the InChIKey of 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
The InChIKey is ODIVGJTZLJKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c25-17-8-6-16(7-9-17)20-12-13-21-22(28-20)23(33-18-2-1-3-18)30-24(29-21)27-14-15-4-10-19(11-5-15)34(26,31)32/h4-13,18H,1-3,14H2,(H2,26,31,32)(H,27,29,30).
What are the key properties of 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide?
4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide has a molecular weight of 479.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-cyclobutyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 24962925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).