4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine

C117H139N39O3S — CID 158142001

IUPAC4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
SMILESC1=Nc2nc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2(C1)CCCCC2.C1=Nc2oc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.C1=Nc2sc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.Cc1nc2c(o1)-c1cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n1C1(CCCCC1)C2.O=C1CCC2(CCCCC2)c2c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3nn21
InChIInChI=1S/C26H30N8O.C23H28N8O.C23H27N7O.C23H27N7S.C22H27N9/c1-17-30-20-14-26(7-3-2-4-8-26)34-21(23(20)35-17)13-18-15-29-25(32-24(18)34)31-22-6-5-19(16-28-22)33-11-9-27-10-12-33;32-19-6-9-23(7-2-1-3-8-23)21-20-17(29-31(19)21)15-26-22(28-20)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30;2*1-2-6-23(7-3-1)8-9-25-21-19(23)20-17(31-21)15-27-22(29-20)28-18-5-4-16(14-26-18)30-12-10-24-11-13-30;1-2-6-22(7-3-1)8-9-24-21-27-17-15-26-20(29-19(17)31(21)22)28-18-5-4-16(14-25-18)30-12-10-23-11-13-30/h5-6,13,15-16,27H,2-4,7-12,14H2,1H3,(H,28,29,31,32);4-5,14-15,24H,1-3,6-13H2,(H,25,27,28);2*4-5,9,14-15,24H,1-3,6-8,10-13H2,(H,26,27,28,29);4-5,9,14-15,23H,1-3,6-8,10-13H2,(H,25,26,28,29)
InChIKeyFUBAZSYMYHOUAG-UHFFFAOYSA-N
MW2171.74 g/mol
LogP18.94
Rot. Bonds15

About 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine

4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine (PubChem CID 158142001) has the molecular formula C117H139N39O3S and a molecular weight of 2171.74 g/mol. Its IUPAC name is 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
PubChem CID158142001
Molecular FormulaC117H139N39O3S
Molecular Weight2171.74 g/mol
Exact Mass2170.16
IUPAC Name4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine
SMILESC1=Nc2nc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2(C1)CCCCC2.C1=Nc2oc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.C1=Nc2sc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.Cc1nc2c(o1)-c1cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n1C1(CCCCC1)C2.O=C1CCC2(CCCCC2)c2c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3nn21
InChIInChI=1S/C26H30N8O.C23H28N8O.C23H27N7O.C23H27N7S.C22H27N9/c1-17-30-20-14-26(7-3-2-4-8-26)34-21(23(20)35-17)13-18-15-29-25(32-24(18)34)31-22-6-5-19(16-28-22)33-11-9-27-10-12-33;32-19-6-9-23(7-2-1-3-8-23)21-20-17(29-31(19)21)15-26-22(28-20)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30;2*1-2-6-23(7-3-1)8-9-25-21-19(23)20-17(31-21)15-27-22(29-20)28-18-5-4-16(14-26-18)30-12-10-24-11-13-30;1-2-6-22(7-3-1)8-9-24-21-27-17-15-26-20(29-19(17)31(21)22)28-18-5-4-16(14-25-18)30-12-10-23-11-13-30/h5-6,13,15-16,27H,2-4,7-12,14H2,1H3,(H,28,29,31,32);4-5,14-15,24H,1-3,6-13H2,(H,25,27,28);2*4-5,9,14-15,24H,1-3,6-8,10-13H2,(H,26,27,28,29);4-5,9,14-15,23H,1-3,6-8,10-13H2,(H,25,26,28,29)
InChIKeyFUBAZSYMYHOUAG-UHFFFAOYSA-N
XLogP18.94
TPSA463.74 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002171.74
LogP ≤ 518.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
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CID 158772638
CID 163750360
CID 163750360
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-chloroimidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclopentylmethyl)pyrrolo[3,4-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(methylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
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CID 136499328
12-(4,6,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-4-(8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
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4-[13-(8-Thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)-3,5,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl]-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721968
10-[4-[13-(4,6,8,10,12-Pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)-3,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-12-yl]-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138722066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The IUPAC name of 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine (CID 158142001) is 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine.
What is the SMILES notation for 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The canonical SMILES for 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine is C1=Nc2nc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n2C2(C1)CCCCC2.C1=Nc2oc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.C1=Nc2sc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c2C2(C1)CCCCC2.Cc1nc2c(o1)-c1cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n1C1(CCCCC1)C2.O=C1CCC2(CCCCC2)c2c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3nn21.
What is the InChIKey of 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
The InChIKey is FUBAZSYMYHOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O.C23H28N8O.C23H27N7O.C23H27N7S.C22H27N9/c1-17-30-20-14-26(7-3-2-4-8-26)34-21(23(20)35-17)13-18-15-29-25(32-24(18)34)31-22-6-5-19(16-28-22)33-11-9-27-10-12-33;32-19-6-9-23(7-2-1-3-8-23)21-20-17(29-31(19)21)15-26-22(28-20)27-18-5-4-16(14-25-18)30-12-10-24-11-13-30;2*1-2-6-23(7-3-1)8-9-25-21-19(23)20-17(31-21)15-27-22(29-20)28-18-5-4-16(14-26-18)30-12-10-24-11-13-30;1-2-6-22(7-3-1)8-9-24-21-27-17-15-26-20(29-19(17)31(21)22)28-18-5-4-16(14-25-18)30-12-10-23-11-13-30/h5-6,13,15-16,27H,2-4,7-12,14H2,1H3,(H,28,29,31,32);4-5,14-15,24H,1-3,6-13H2,(H,25,27,28);2*4-5,9,14-15,24H,1-3,6-8,10-13H2,(H,26,27,28,29);4-5,9,14-15,23H,1-3,6-8,10-13H2,(H,25,26,28,29).
What are the key properties of 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine?
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine has a molecular weight of 2171.74 g/mol, XLogP of 18.94, 15 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)spiro[3-oxa-5,9,11,13-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10,12,14-hexaene-8,1'-cyclohexane]-12-amine;4-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-10-one;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8H-purino[9,8-a]pyrimidine-9,1'-cyclohexane]-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10-pentaene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 158142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).