6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C26H34N8O — CID 169232781

IUPAC6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(N3CCNCC34CC4)c(=O)n(C)c2n1
InChIInChI=1S/C26H34N8O/c1-18-14-20(33-12-10-31(2)11-13-33)4-5-21(18)29-25-28-16-19-15-22(24(35)32(3)23(19)30-25)34-9-8-27-17-26(34)6-7-26/h4-5,14-16,27H,6-13,17H2,1-3H3,(H,28,29,30)
InChIKeyOAXSMTIJVIGIJS-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.07
Rot. Bonds4

About 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 169232781) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID169232781
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(N3CCNCC34CC4)c(=O)n(C)c2n1
InChIInChI=1S/C26H34N8O/c1-18-14-20(33-12-10-31(2)11-13-33)4-5-21(18)29-25-28-16-19-15-22(24(35)32(3)23(19)30-25)34-9-8-27-17-26(34)6-7-26/h4-5,14-16,27H,6-13,17H2,1-3H3,(H,28,29,30)
InChIKeyOAXSMTIJVIGIJS-UHFFFAOYSA-N
XLogP2.07
TPSA81.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 169232555
8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-phenylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232477
8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-4-propanoyl-2,3-dihydroquinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232761
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
4-chloro-N-(2-methyl-4-piperazin-1-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 123924474
2-ethyl-5,9-dimethyl-13-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 167551121
7-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-1-cyclopentylpyrimido[4,5-d]pyrimidin-2-one
CID 163387100
8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163387131
2,5,9-trimethyl-13-[2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 167562852
5-ethynyl-6,8-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171546997
8-chloro-3-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,11-dimethylpyrimido[5,4-b][1,4]benzodiazepin-6-one
CID 86268844
6-(5-methoxy-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 169232733

Frequently Asked Questions

What is the IUPAC name of 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 169232781) is 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(N3CCNCC34CC4)c(=O)n(C)c2n1.
What is the InChIKey of 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OAXSMTIJVIGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-18-14-20(33-12-10-31(2)11-13-33)4-5-21(18)29-25-28-16-19-15-22(24(35)32(3)23(19)30-25)34-9-8-27-17-26(34)6-7-26/h4-5,14-16,27H,6-13,17H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 474.61 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,7-diazaspiro[2.5]octan-4-yl)-8-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169232781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).