8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C32H34F3N5O — CID 156767137

IUPAC8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C32H34F3N5O/c33-32(34,35)24-12-10-23(11-13-24)27-20-29(41)40(26-8-4-5-9-26)30-28(27)21-37-31(38-30)39-18-15-25(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,25-26,36H,4-5,8-9,14-19H2
InChIKeyFGIIRRFQSHDUCZ-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.39
Rot. Bonds7

About 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767137) has the molecular formula C32H34F3N5O and a molecular weight of 561.65 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156767137
Molecular FormulaC32H34F3N5O
Molecular Weight561.65 g/mol
Exact Mass561.27
IUPAC Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C32H34F3N5O/c33-32(34,35)24-12-10-23(11-13-24)27-20-29(41)40(26-8-4-5-9-26)30-28(27)21-37-31(38-30)39-18-15-25(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,25-26,36H,4-5,8-9,14-19H2
InChIKeyFGIIRRFQSHDUCZ-UHFFFAOYSA-N
XLogP6.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 156769367
8-cyclopentyl-5-(furan-3-yl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156767124
8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156767151
3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 156769359
tert-butyl N-[1-[8-cyclopentyl-7-oxo-5-(5-trimethylsilyl-2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]-N-(2-phenylethyl)carbamate
CID 166451378
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248
5-[2-(3-chlorophenyl)ethynyl]-8-(2-methylpropyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
CID 166451347
[2-tert-butyl-1-(8-cyclopentyl-5-ethynyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)piperidin-4-yl] N-(2-phenylethyl)carbamate
CID 163214365
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171337934

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 156767137) is 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FGIIRRFQSHDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O/c33-32(34,35)24-12-10-23(11-13-24)27-20-29(41)40(26-8-4-5-9-26)30-28(27)21-37-31(38-30)39-18-15-25(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,25-26,36H,4-5,8-9,14-19H2.
What are the key properties of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 561.65 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).