3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione

C24H19F3N4O6S — CID 59492186

IUPAC3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C24H19F3N4O6S/c1-29-20-17(21(33)31(15-9-10-15)23(35)30(20)14-5-3-2-4-6-14)18(19(32)22(29)34)28-13-7-11-16(12-8-13)38(36,37)24(25,26)27/h2-8,11-12,15,28,32H,9-10H2,1H3
InChIKeyKTODAMKSBBXJCT-UHFFFAOYSA-N
MW548.50 g/mol
LogP2.93
Rot. Bonds5

About 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione

3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59492186) has the molecular formula C24H19F3N4O6S and a molecular weight of 548.50 g/mol. Its IUPAC name is 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59492186
Molecular FormulaC24H19F3N4O6S
Molecular Weight548.50 g/mol
Exact Mass548.10
IUPAC Name3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C24H19F3N4O6S/c1-29-20-17(21(33)31(15-9-10-15)23(35)30(20)14-5-3-2-4-6-14)18(19(32)22(29)34)28-13-7-11-16(12-8-13)38(36,37)24(25,26)27/h2-8,11-12,15,28,32H,9-10H2,1H3
InChIKeyKTODAMKSBBXJCT-UHFFFAOYSA-N
XLogP2.93
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59492186) is 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c(O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is KTODAMKSBBXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O6S/c1-29-20-17(21(33)31(15-9-10-15)23(35)30(20)14-5-3-2-4-6-14)18(19(32)22(29)34)28-13-7-11-16(12-8-13)38(36,37)24(25,26)27/h2-8,11-12,15,28,32H,9-10H2,1H3.
What are the key properties of 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 548.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-hydroxy-8-methyl-1-phenyl-5-[4-(trifluoromethylsulfonyl)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59492186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).