1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C19H16ClF3N4O — CID 154933488

IUPAC1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CCC1
InChIInChI=1S/C19H16ClF3N4O/c1-18(9-4-10-18)26-15-11-7-8-14(19(21,22)23)24-16(11)27(17(28)25-15)13-6-3-2-5-12(13)20/h2-3,5-8H,4,9-10H2,1H3,(H,25,26,28)
InChIKeyXGLVANYOJZIOKG-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.81
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154933488) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID154933488
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CCC1
InChIInChI=1S/C19H16ClF3N4O/c1-18(9-4-10-18)26-15-11-7-8-14(19(21,22)23)24-16(11)27(17(28)25-15)13-6-3-2-5-12(13)20/h2-3,5-8H,4,9-10H2,1H3,(H,25,26,28)
InChIKeyXGLVANYOJZIOKG-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 154933488) is 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CCC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is XGLVANYOJZIOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-18(9-4-10-18)26-15-11-7-8-14(19(21,22)23)24-16(11)27(17(28)25-15)13-6-3-2-5-12(13)20/h2-3,5-8H,4,9-10H2,1H3,(H,25,26,28).
What are the key properties of 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 408.81 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(1-methylcyclobutyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154933488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).