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

C33H30F3N5O — CID 166451367

IUPAC8-phenyl-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)nc2n1-c1ccccc1
InChIInChI=1S/C33H30F3N5O/c34-33(35,36)25-13-11-24(12-14-25)28-21-30(42)41(27-9-5-2-6-10-27)31-29(28)22-38-32(39-31)40-19-16-26(17-20-40)37-18-15-23-7-3-1-4-8-23/h1-14,21-22,26,37H,15-20H2
InChIKeyUTLITDBCNBMPHC-UHFFFAOYSA-N
MW569.63 g/mol
LogP6.27
Rot. Bonds7

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

8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166451367) has the molecular formula C33H30F3N5O and a molecular weight of 569.63 g/mol. Its IUPAC name is 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID166451367
Molecular FormulaC33H30F3N5O
Molecular Weight569.63 g/mol
Exact Mass569.24
IUPAC Name8-phenyl-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)nc2n1-c1ccccc1
InChIInChI=1S/C33H30F3N5O/c34-33(35,36)25-13-11-24(12-14-25)28-21-30(42)41(27-9-5-2-6-10-27)31-29(28)22-38-32(39-31)40-19-16-26(17-20-40)37-18-15-23-7-3-1-4-8-23/h1-14,21-22,26,37H,15-20H2
InChIKeyUTLITDBCNBMPHC-UHFFFAOYSA-N
XLogP6.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
CID 5330250
8-cyclohexyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330256
2-Aminoquinazoline 31
CID 5330329
Pyrido[2,3-d]pyrimidin-7-one 3
CID 5330332
Pyrido[2,3-d]pyrimidin-7-one 8
CID 5330336
Pyrido[2,3-d]pyrimidin-7-one 11
CID 5330338

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 166451367) is 8-phenyl-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-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-phenyl-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)nc2n1-c1ccccc1.
What is the InChIKey of 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UTLITDBCNBMPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N5O/c34-33(35,36)25-13-11-24(12-14-25)28-21-30(42)41(27-9-5-2-6-10-27)31-29(28)22-38-32(39-31)40-19-16-26(17-20-40)37-18-15-23-7-3-1-4-8-23/h1-14,21-22,26,37H,15-20H2.
What are the key properties of 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 569.63 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166451367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).