2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one

C23H28N8O — CID 158904746

IUPAC2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one
SMILESO=C1CCC2(CCCCC2)c2c1nn1cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C23H28N8O/c32-17-6-9-23(7-2-1-3-8-23)19-20(17)29-31-15-26-22(28-21(19)31)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30/h4-5,14-15,24H,1-3,6-13H2,(H,25,27,28)
InChIKeySIZUCCJIMZBMBC-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.85
Rot. Bonds3

About 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one

2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one (PubChem CID 158904746) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one
PubChem CID158904746
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one
SMILESO=C1CCC2(CCCCC2)c2c1nn1cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C23H28N8O/c32-17-6-9-23(7-2-1-3-8-23)19-20(17)29-31-15-26-22(28-21(19)31)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30/h4-5,14-15,24H,1-3,6-13H2,(H,25,27,28)
InChIKeySIZUCCJIMZBMBC-UHFFFAOYSA-N
XLogP2.85
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one with MolForge

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Related Compounds

10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraene-13,1'-cyclohexane]-4-amine
CID 166686126
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10-pentaene-13,1'-cyclohexane]-4-amine
CID 138616061
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 159307931
(2S,6S)-14-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]-1,7,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11,13,15-tetraen-8-one
CID 170078366
4-[methyl-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[3,5,7,8,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraene-13,1'-cyclohexane]-10-one
CID 163949193
10-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-11-one
CID 138616238
N-(5-piperidin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-4-amine
CID 129033649
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868

Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one?
The IUPAC name of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one (CID 158904746) is 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one.
What is the SMILES notation for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one?
The canonical SMILES for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one is O=C1CCC2(CCCCC2)c2c1nn1cnc(Nc3ccc(N4CCNCC4)cn3)nc21.
What is the InChIKey of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one?
The InChIKey is SIZUCCJIMZBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c32-17-6-9-23(7-2-1-3-8-23)19-20(17)29-31-15-26-22(28-21(19)31)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30/h4-5,14-15,24H,1-3,6-13H2,(H,25,27,28).
What are the key properties of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one?
2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one has a molecular weight of 432.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[8,9-dihydro-[1,3,5]triazino[1,2-b]indazole-10,1'-cyclohexane]-7-one is sourced from PubChem (CID 158904746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).