2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one

C31H27N5O2 — CID 70113134

IUPAC2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H27N5O2/c37-28-15-14-21-20-33-31(35(22-8-2-1-3-9-22)23-16-18-32-19-17-23)34-30(21)36(28)29-24-10-4-6-12-26(24)38-27-13-7-5-11-25(27)29/h1-15,20,23,29,32H,16-19H2
InChIKeyHECYXJJADSDKAF-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.43
Rot. Bonds4

About 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one

2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70113134) has the molecular formula C31H27N5O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70113134
Molecular FormulaC31H27N5O2
Molecular Weight501.59 g/mol
Exact Mass501.22
IUPAC Name2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H27N5O2/c37-28-15-14-21-20-33-31(35(22-8-2-1-3-9-22)23-16-18-32-19-17-23)34-30(21)36(28)29-24-10-4-6-12-26(24)38-27-13-7-5-11-25(27)29/h1-15,20,23,29,32H,16-19H2
InChIKeyHECYXJJADSDKAF-UHFFFAOYSA-N
XLogP5.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68888651
8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 67553457
8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70133381
8-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 46701166
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217

Frequently Asked Questions

What is the IUPAC name of 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one (CID 70113134) is 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HECYXJJADSDKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O2/c37-28-15-14-21-20-33-31(35(22-8-2-1-3-9-22)23-16-18-32-19-17-23)34-30(21)36(28)29-24-10-4-6-12-26(24)38-27-13-7-5-11-25(27)29/h1-15,20,23,29,32H,16-19H2.
What are the key properties of 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 501.59 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70113134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).