(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C23H26FN3O3 — CID 154674804

IUPAC(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCC/C=C1\N(c2ccc(C)cc2F)c2c(c(O)c(C)c(=O)n2C)C(=O)N1C1CC1
InChIInChI=1S/C23H26FN3O3/c1-5-6-7-18-26(15-9-10-15)23(30)19-20(28)14(3)22(29)25(4)21(19)27(18)17-11-8-13(2)12-16(17)24/h7-8,11-12,15,28H,5-6,9-10H2,1-4H3/b18-7-
InChIKeyPLFXWCYOFJDXMK-WSVATBPTSA-N
MW411.48 g/mol
LogP4.24
Rot. Bonds4

About (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 154674804) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID154674804
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCC/C=C1\N(c2ccc(C)cc2F)c2c(c(O)c(C)c(=O)n2C)C(=O)N1C1CC1
InChIInChI=1S/C23H26FN3O3/c1-5-6-7-18-26(15-9-10-15)23(30)19-20(28)14(3)22(29)25(4)21(19)27(18)17-11-8-13(2)12-16(17)24/h7-8,11-12,15,28H,5-6,9-10H2,1-4H3/b18-7-
InChIKeyPLFXWCYOFJDXMK-WSVATBPTSA-N
XLogP4.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 154674804) is (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is CCC/C=C1\N(c2ccc(C)cc2F)c2c(c(O)c(C)c(=O)n2C)C(=O)N1C1CC1.
What is the InChIKey of (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is PLFXWCYOFJDXMK-WSVATBPTSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-5-6-7-18-26(15-9-10-15)23(30)19-20(28)14(3)22(29)25(4)21(19)27(18)17-11-8-13(2)12-16(17)24/h7-8,11-12,15,28H,5-6,9-10H2,1-4H3/b18-7-.
What are the key properties of (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 411.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 154674804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).