2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one

C30H26N6O2 — CID 150363482

IUPAC2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H26N6O2/c37-27-14-9-20-19-32-30(33-21-10-12-22(13-11-21)35-17-15-31-16-18-35)34-29(20)36(27)28-23-5-1-3-7-25(23)38-26-8-4-2-6-24(26)28/h1-14,19,28,31H,15-18H2,(H,32,33,34)
InChIKeyGWEYSHNAKWRKGM-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one

2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 150363482) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID150363482
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC Name2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H26N6O2/c37-27-14-9-20-19-32-30(33-21-10-12-22(13-11-21)35-17-15-31-16-18-35)34-29(20)36(27)28-23-5-1-3-7-25(23)38-26-8-4-2-6-24(26)28/h1-14,19,28,31H,15-18H2,(H,32,33,34)
InChIKeyGWEYSHNAKWRKGM-UHFFFAOYSA-N
XLogP4.69
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-(2-adamantyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 151718666
8-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 46701166
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
1-[4-[(8-cyclohexyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidine-4-carboxylic acid
CID 18375092
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
8-benzhydryl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374944
1-[(1S)-1,2-dihydroacenaphthylen-1-yl]-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 24999961
8-methyl-2-(4-piperazin-1-ylanilino)-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 142733067
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one (CID 150363482) is 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GWEYSHNAKWRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2/c37-27-14-9-20-19-32-30(33-21-10-12-22(13-11-21)35-17-15-31-16-18-35)34-29(20)36(27)28-23-5-1-3-7-25(23)38-26-8-4-2-6-24(26)28/h1-14,19,28,31H,15-18H2,(H,32,33,34).
What are the key properties of 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 502.58 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 150363482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).