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

C18H14ClF3N4O — CID 154933689

IUPAC1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H14ClF3N4O/c1-17(8-9-17)25-14-10-6-7-13(18(20,21)22)23-15(10)26(16(27)24-14)12-5-3-2-4-11(12)19/h2-7H,8-9H2,1H3,(H,24,25,27)
InChIKeyCUOOHCHLZQZALA-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.42
Rot. Bonds3

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

1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154933689) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID154933689
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H14ClF3N4O/c1-17(8-9-17)25-14-10-6-7-13(18(20,21)22)23-15(10)26(16(27)24-14)12-5-3-2-4-11(12)19/h2-7H,8-9H2,1H3,(H,24,25,27)
InChIKeyCUOOHCHLZQZALA-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 154933689) is 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is CC1(Nc2nc(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is CUOOHCHLZQZALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-17(8-9-17)25-14-10-6-7-13(18(20,21)22)23-15(10)26(16(27)24-14)12-5-3-2-4-11(12)19/h2-7H,8-9H2,1H3,(H,24,25,27).
What are the key properties of 1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-[(1-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 394.78 g/mol, XLogP of 4.42, 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-methylcyclopropyl)amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154933689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).