8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C32H31N5O — CID 70111873

IUPAC8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N5O/c38-30-16-15-27-23-34-32(37(28-9-5-2-6-10-28)29-17-20-33-21-18-29)35-31(27)36(30)22-19-24-11-13-26(14-12-24)25-7-3-1-4-8-25/h1-16,23,29,33H,17-22H2
InChIKeyBFLPKQZTFKLFRP-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.59
Rot. Bonds7

About 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70111873) has the molecular formula C32H31N5O and a molecular weight of 501.63 g/mol. Its IUPAC name is 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70111873
Molecular FormulaC32H31N5O
Molecular Weight501.63 g/mol
Exact Mass501.25
IUPAC Name8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H31N5O/c38-30-16-15-27-23-34-32(37(28-9-5-2-6-10-28)29-17-20-33-21-18-29)35-31(27)36(30)22-19-24-11-13-26(14-12-24)25-7-3-1-4-8-25/h1-16,23,29,33H,17-22H2
InChIKeyBFLPKQZTFKLFRP-UHFFFAOYSA-N
XLogP5.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
2-anilino-8-(2-naphthalen-2-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 18375323
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70111873) is 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BFLPKQZTFKLFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O/c38-30-16-15-27-23-34-32(37(28-9-5-2-6-10-28)29-17-20-33-21-18-29)35-31(27)36(30)22-19-24-11-13-26(14-12-24)25-7-3-1-4-8-25/h1-16,23,29,33H,17-22H2.
What are the key properties of 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 501.63 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70111873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).