8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C32H34F3N5O — CID 156769367

IUPAC8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cc2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C32H34F3N5O/c33-32(34,35)25-12-10-23(11-13-25)28-20-24-21-37-31(38-29(24)40(30(28)41)27-8-4-5-9-27)39-18-15-26(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,26-27,36H,4-5,8-9,14-19H2
InChIKeyDKOADPUEQJZZGJ-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.39
Rot. Bonds7

About 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156769367) 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]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156769367
Molecular FormulaC32H34F3N5O
Molecular Weight561.65 g/mol
Exact Mass561.27
IUPAC Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cc2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C32H34F3N5O/c33-32(34,35)25-12-10-23(11-13-25)28-20-24-21-37-31(38-29(24)40(30(28)41)27-8-4-5-9-27)39-18-15-26(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,26-27,36H,4-5,8-9,14-19H2
InChIKeyDKOADPUEQJZZGJ-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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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 156769367) is 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[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]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccc(C(F)(F)F)cc2)cc2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DKOADPUEQJZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O/c33-32(34,35)25-12-10-23(11-13-25)28-20-24-21-37-31(38-29(24)40(30(28)41)27-8-4-5-9-27)39-18-15-26(16-19-39)36-17-14-22-6-2-1-3-7-22/h1-3,6-7,10-13,20-21,26-27,36H,4-5,8-9,14-19H2.
What are the key properties of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-6-[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]-6-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156769367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).