N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine

C139H184N40O — CID 157220788

IUPACN-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine
SMILESC.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCC(C)CC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C5CC5)C(C)(C)C4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12
InChIInChI=1S/C31H42N8.C29H38N8O.C29H38N8.C25H32N8.C24H30N8.CH4/c1-22-8-14-37(15-9-22)25-10-16-38(17-11-25)26-6-7-28(32-20-26)35-30-33-19-24-18-27-23(2)34-21-31(12-4-3-5-13-31)39(27)29(24)36-30;1-21-25-17-22-18-31-28(34-27(22)37(25)29(20-32-21)9-3-2-4-10-29)33-26-6-5-24(19-30-26)35-11-7-23(8-12-35)36-13-15-38-16-14-36;1-20-24-15-21-16-31-27(34-26(21)37(24)29(18-32-20)11-5-4-6-12-29)33-25-10-9-23(17-30-25)35-13-14-36(22-7-8-22)28(2,3)19-35;1-18-21-14-19-15-27-24(30-23(19)33(21)25(17-28-18)8-4-3-5-9-25)29-22-7-6-20(16-26-22)32-12-10-31(2)11-13-32;1-17-20-13-18-14-27-23(29-21-6-5-19(15-26-21)31-11-9-25-10-12-31)30-22(18)32(20)24(16-28-17)7-3-2-4-8-24;/h6-7,18-20,22,25,34H,2-5,8-17,21H2,1H3,(H,32,33,35,36);5-6,17-19,23,32H,1-4,7-16,20H2,(H,30,31,33,34);9-10,15-17,22,32H,1,4-8,11-14,18-19H2,2-3H3,(H,30,31,33,34);6-7,14-16,28H,1,3-5,8-13,17H2,2H3,(H,26,27,29,30);5-6,13-15,25,28H,1-4,7-12,16H2,(H,26,27,29,30);1H4
InChIKeyASYSYLRQNWUHTC-UHFFFAOYSA-N
MW2431.28 g/mol
LogP21.88
Rot. Bonds18

About N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine

N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine (PubChem CID 157220788) has the molecular formula C139H184N40O and a molecular weight of 2431.28 g/mol. Its IUPAC name is N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine
PubChem CID157220788
Molecular FormulaC139H184N40O
Molecular Weight2431.28 g/mol
Exact Mass2429.56
IUPAC NameN-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine
SMILESC.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCC(C)CC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C5CC5)C(C)(C)C4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12
InChIInChI=1S/C31H42N8.C29H38N8O.C29H38N8.C25H32N8.C24H30N8.CH4/c1-22-8-14-37(15-9-22)25-10-16-38(17-11-25)26-6-7-28(32-20-26)35-30-33-19-24-18-27-23(2)34-21-31(12-4-3-5-13-31)39(27)29(24)36-30;1-21-25-17-22-18-31-28(34-27(22)37(25)29(20-32-21)9-3-2-4-10-29)33-26-6-5-24(19-30-26)35-11-7-23(8-12-35)36-13-15-38-16-14-36;1-20-24-15-21-16-31-27(34-26(21)37(24)29(18-32-20)11-5-4-6-12-29)33-25-10-9-23(17-30-25)35-13-14-36(22-7-8-22)28(2,3)19-35;1-18-21-14-19-15-27-24(30-23(19)33(21)25(17-28-18)8-4-3-5-9-25)29-22-7-6-20(16-26-22)32-12-10-31(2)11-13-32;1-17-20-13-18-14-27-23(29-21-6-5-19(15-26-21)31-11-9-25-10-12-31)30-22(18)32(20)24(16-28-17)7-3-2-4-8-24;/h6-7,18-20,22,25,34H,2-5,8-17,21H2,1H3,(H,32,33,35,36);5-6,17-19,23,32H,1-4,7-16,20H2,(H,30,31,33,34);9-10,15-17,22,32H,1,4-8,11-14,18-19H2,2-3H3,(H,30,31,33,34);6-7,14-16,28H,1,3-5,8-13,17H2,2H3,(H,26,27,29,30);5-6,13-15,25,28H,1-4,7-12,16H2,(H,26,27,29,30);1H4
InChIKeyASYSYLRQNWUHTC-UHFFFAOYSA-N
XLogP21.88
TPSA388.72 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.28
LogP ≤ 521.88
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300046
N-[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300061
N-[5-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300082
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133250
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133251
4-[4-[4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118414232
US10131675, Example 23
CID 122536020
US10131675, Example 147
CID 132266662
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117091938
7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820201
N-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]-7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820232
7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[6-(3,3-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820240

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine?
The IUPAC name of N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine (CID 157220788) is N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine?
The canonical SMILES for N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine is C.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCC(C)CC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCN(C5CC5)C(C)(C)C4)cn3)nc12.C=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12.
What is the InChIKey of N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine?
The InChIKey is ASYSYLRQNWUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8.C29H38N8O.C29H38N8.C25H32N8.C24H30N8.CH4/c1-22-8-14-37(15-9-22)25-10-16-38(17-11-25)26-6-7-28(32-20-26)35-30-33-19-24-18-27-23(2)34-21-31(12-4-3-5-13-31)39(27)29(24)36-30;1-21-25-17-22-18-31-28(34-27(22)37(25)29(20-32-21)9-3-2-4-10-29)33-26-6-5-24(19-30-26)35-11-7-23(8-12-35)36-13-15-38-16-14-36;1-20-24-15-21-16-31-27(34-26(21)37(24)29(18-32-20)11-5-4-6-12-29)33-25-10-9-23(17-30-25)35-13-14-36(22-7-8-22)28(2,3)19-35;1-18-21-14-19-15-27-24(30-23(19)33(21)25(17-28-18)8-4-3-5-9-25)29-22-7-6-20(16-26-22)32-12-10-31(2)11-13-32;1-17-20-13-18-14-27-23(29-21-6-5-19(15-26-21)31-11-9-25-10-12-31)30-22(18)32(20)24(16-28-17)7-3-2-4-8-24;/h6-7,18-20,22,25,34H,2-5,8-17,21H2,1H3,(H,32,33,35,36);5-6,17-19,23,32H,1-4,7-16,20H2,(H,30,31,33,34);9-10,15-17,22,32H,1,4-8,11-14,18-19H2,2-3H3,(H,30,31,33,34);6-7,14-16,28H,1,3-5,8-13,17H2,2H3,(H,26,27,29,30);5-6,13-15,25,28H,1-4,7-12,16H2,(H,26,27,29,30);1H4.
What are the key properties of N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine?
N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine has a molecular weight of 2431.28 g/mol, XLogP of 21.88, 18 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclopropyl-3,3-dimethylpiperazin-1-yl)-2-pyridinyl]-10-methylidenespiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;methane;10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;10-methylidene-N-(5-piperazin-1-yl-2-pyridinyl)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine is sourced from PubChem (CID 157220788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).