11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine

C131H184N36O5 — CID 158660549

IUPAC11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine
SMILESCC(C)N(CCOc1nn2c3c(ccc2c1N)CCC3)C(C)C.CN(C)CCOc1nn2c3c(ccc2c1N)CCC3.Nc1c(NCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCOCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCc2ccncc2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCCC2)nn2c3c(ccc12)CCC3
InChIInChI=1S/C18H28N4O.C17H19N5.C17H25N5.C17H24N4O.C16H23N5O.C16H23N5.C16H22N4O.C14H20N4O/c1-12(2)21(13(3)4)10-11-23-18-17(19)16-9-8-14-6-5-7-15(14)22(16)20-18;18-16-15-5-4-13-2-1-3-14(13)22(15)21-17(16)20-11-8-12-6-9-19-10-7-12;18-16-15-8-7-13-5-4-6-14(13)22(15)20-17(16)19-9-12-21-10-2-1-3-11-21;18-16-15-8-7-13-5-4-6-14(13)21(15)19-17(16)22-12-11-20-9-2-1-3-10-20;17-15-14-5-4-12-2-1-3-13(12)21(14)19-16(15)18-6-7-20-8-10-22-11-9-20;17-15-14-7-6-12-4-3-5-13(12)21(14)19-16(15)18-8-11-20-9-1-2-10-20;17-15-14-7-6-12-4-3-5-13(12)20(14)18-16(15)21-11-10-19-8-1-2-9-19;1-17(2)8-9-19-14-13(15)12-7-6-10-4-3-5-11(10)18(12)16-14/h8-9,12-13H,5-7,10-11,19H2,1-4H3;4-7,9-10H,1-3,8,11,18H2,(H,20,21);7-8H,1-6,9-12,18H2,(H,19,20);7-8H,1-6,9-12,18H2;4-5H,1-3,6-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2;6-7H,3-5,8-9,15H2,1-2H3
InChIKeyICRXPPHGLLCJQS-UHFFFAOYSA-N
MW2343.16 g/mol
LogP16.22
Rot. Bonds34

About 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine

11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine (PubChem CID 158660549) has the molecular formula C131H184N36O5 and a molecular weight of 2343.16 g/mol. Its IUPAC name is 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine.

Molecular Properties

Compound Name11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine
PubChem CID158660549
Molecular FormulaC131H184N36O5
Molecular Weight2343.16 g/mol
Exact Mass2341.53
IUPAC Name11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine
SMILESCC(C)N(CCOc1nn2c3c(ccc2c1N)CCC3)C(C)C.CN(C)CCOc1nn2c3c(ccc2c1N)CCC3.Nc1c(NCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCOCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCc2ccncc2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCCC2)nn2c3c(ccc12)CCC3
InChIInChI=1S/C18H28N4O.C17H19N5.C17H25N5.C17H24N4O.C16H23N5O.C16H23N5.C16H22N4O.C14H20N4O/c1-12(2)21(13(3)4)10-11-23-18-17(19)16-9-8-14-6-5-7-15(14)22(16)20-18;18-16-15-5-4-13-2-1-3-14(13)22(15)21-17(16)20-11-8-12-6-9-19-10-7-12;18-16-15-8-7-13-5-4-6-14(13)22(15)20-17(16)19-9-12-21-10-2-1-3-11-21;18-16-15-8-7-13-5-4-6-14(13)21(15)19-17(16)22-12-11-20-9-2-1-3-10-20;17-15-14-5-4-12-2-1-3-13(12)21(14)19-16(15)18-6-7-20-8-10-22-11-9-20;17-15-14-7-6-12-4-3-5-13(12)21(14)19-16(15)18-8-11-20-9-1-2-10-20;17-15-14-7-6-12-4-3-5-13(12)20(14)18-16(15)21-11-10-19-8-1-2-9-19;1-17(2)8-9-19-14-13(15)12-7-6-10-4-3-5-11(10)18(12)16-14/h8-9,12-13H,5-7,10-11,19H2,1-4H3;4-7,9-10H,1-3,8,11,18H2,(H,20,21);7-8H,1-6,9-12,18H2,(H,19,20);7-8H,1-6,9-12,18H2;4-5H,1-3,6-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2;6-7H,3-5,8-9,15H2,1-2H3
InChIKeyICRXPPHGLLCJQS-UHFFFAOYSA-N
XLogP16.22
TPSA476.40 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002343.16
LogP ≤ 516.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine with MolForge

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Related Compounds

2-[(2S)-1-[7-[[6-[2-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 168196387
2-[(2S)-1-[7-[[6-[2-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 168196604
2-[(2S)-1-[7-[[6-[2-[2-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886505
2-[(2S)-1-[7-[[6-[2-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]ethoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886828
2-[(2S)-1-[7-[[6-[3-[4-[3-[4-[[2-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-9-methylpurin-6-yl]amino]-3-methoxypyrazol-1-yl]propyl]piperazin-1-yl]propoxy]-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 175886883
[1-[2-(3-Amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium;[1-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)pyrrolidin-3-yl]-(2-hydroxyethyl)-dimethylazanium;6,7-dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 87850335
2-[4-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]-4-methylpiperazin-4-ium-1-yl]-4-N,4-N-dimethylpyrazolo[1,5-a]pyridine-3,4-diamine;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine
CID 87850340
2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
CID 121421047
2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
CID 121421083
6-(3-benzyl-1-methylpyrazol-4-yl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[[3-[1-methyl-4-[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-5-yl]oxyphenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 123640861
2-N-[6,7-dimethyl-2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
CID 132201523
1-[3-Amino-2,6-bis[[2-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[2-(3-imidazol-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine
CID 135365009

Frequently Asked Questions

What is the IUPAC name of 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine?
The IUPAC name of 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine (CID 158660549) is 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine.
What is the SMILES notation for 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine?
The canonical SMILES for 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine is CC(C)N(CCOc1nn2c3c(ccc2c1N)CCC3)C(C)C.CN(C)CCOc1nn2c3c(ccc2c1N)CCC3.Nc1c(NCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCCCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCN2CCOCC2)nn2c3c(ccc12)CCC3.Nc1c(NCCc2ccncc2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCC2)nn2c3c(ccc12)CCC3.Nc1c(OCCN2CCCCC2)nn2c3c(ccc12)CCC3.
What is the InChIKey of 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine?
The InChIKey is ICRXPPHGLLCJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C17H19N5.C17H25N5.C17H24N4O.C16H23N5O.C16H23N5.C16H22N4O.C14H20N4O/c1-12(2)21(13(3)4)10-11-23-18-17(19)16-9-8-14-6-5-7-15(14)22(16)20-18;18-16-15-5-4-13-2-1-3-14(13)22(15)21-17(16)20-11-8-12-6-9-19-10-7-12;18-16-15-8-7-13-5-4-6-14(13)22(15)20-17(16)19-9-12-21-10-2-1-3-11-21;18-16-15-8-7-13-5-4-6-14(13)21(15)19-17(16)22-12-11-20-9-2-1-3-10-20;17-15-14-5-4-12-2-1-3-13(12)21(14)19-16(15)18-6-7-20-8-10-22-11-9-20;17-15-14-7-6-12-4-3-5-13(12)21(14)19-16(15)18-8-11-20-9-1-2-10-20;17-15-14-7-6-12-4-3-5-13(12)20(14)18-16(15)21-11-10-19-8-1-2-9-19;1-17(2)8-9-19-14-13(15)12-7-6-10-4-3-5-11(10)18(12)16-14/h8-9,12-13H,5-7,10-11,19H2,1-4H3;4-7,9-10H,1-3,8,11,18H2,(H,20,21);7-8H,1-6,9-12,18H2,(H,19,20);7-8H,1-6,9-12,18H2;4-5H,1-3,6-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2,(H,18,19);6-7H,1-5,8-11,17H2;6-7H,3-5,8-9,15H2,1-2H3.
What are the key properties of 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine?
11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine has a molecular weight of 2343.16 g/mol, XLogP of 16.22, 34 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(dimethylamino)ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-[2-[di(propan-2-yl)amino]ethoxy]-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-morpholin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-piperidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-N-(2-pyridin-4-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine;11-(2-pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine;11-N-(2-pyrrolidin-1-ylethyl)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10,11-diamine is sourced from PubChem (CID 158660549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).