1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C19H17F3N4O — CID 150330776

IUPAC1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CCCC2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O/c1-12-6-2-3-7-14(12)26-17-13(8-9-15(23-17)19(20,21)22)16(24-18(26)27)25-10-4-5-11-25/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyGPPXATBUUYZNPT-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.71
Rot. Bonds2

About 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 150330776) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID150330776
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CCCC2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O/c1-12-6-2-3-7-14(12)26-17-13(8-9-15(23-17)19(20,21)22)16(24-18(26)27)25-10-4-5-11-25/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyGPPXATBUUYZNPT-UHFFFAOYSA-N
XLogP3.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 150330776) is 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccccc1-n1c(=O)nc(N2CCCC2)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GPPXATBUUYZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-6-2-3-7-14(12)26-17-13(8-9-15(23-17)19(20,21)22)16(24-18(26)27)25-10-4-5-11-25/h2-3,6-9H,4-5,10-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 374.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-pyrrolidin-1-yl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 150330776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).