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

C28H28F3N5O — CID 166451328

IUPAC8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21
InChIInChI=1S/C28H28F3N5O/c1-35-25(37)17-23(20-7-9-21(10-8-20)28(29,30)31)24-18-33-27(34-26(24)35)36-15-12-22(13-16-36)32-14-11-19-5-3-2-4-6-19/h2-10,17-18,22,32H,11-16H2,1H3
InChIKeyGLVLBRXGOUIBCU-UHFFFAOYSA-N
MW507.56 g/mol
LogP4.82
Rot. Bonds6

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

8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166451328) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID166451328
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21
InChIInChI=1S/C28H28F3N5O/c1-35-25(37)17-23(20-7-9-21(10-8-20)28(29,30)31)24-18-33-27(34-26(24)35)36-15-12-22(13-16-36)32-14-11-19-5-3-2-4-6-19/h2-10,17-18,22,32H,11-16H2,1H3
InChIKeyGLVLBRXGOUIBCU-UHFFFAOYSA-N
XLogP4.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
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
8-cyclohexyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330256
Pyrido[2,3-d]pyrimidin-7-one 8
CID 5330336
Pyrido[2,3-d]pyrimidin-7-one 11
CID 5330338
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 27
CID 5330354
Pyrido[2,3-d]pyrimidin-7-one 12
CID 5330339
N-[4-[5-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide
CID 164624240
N-(cis-4-{[4-(Dimethylamino)-5-methylpyrimidin-2-yl]amino}-cyclohexyl)-3,4-difluorobenzamide
CID 9821717

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 166451328) is 8-methyl-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-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)cc(-c2ccc(C(F)(F)F)cc2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21.
What is the InChIKey of 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GLVLBRXGOUIBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-35-25(37)17-23(20-7-9-21(10-8-20)28(29,30)31)24-18-33-27(34-26(24)35)36-15-12-22(13-16-36)32-14-11-19-5-3-2-4-6-19/h2-10,17-18,22,32H,11-16H2,1H3.
What are the key properties of 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 507.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166451328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).