1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride

C126H137Cl2N31O11 — CID 158774527

IUPAC1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride
SMILESCC(=O)NC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)CC1.CC(=O)c1ccc2[nH]c3ncnc(N(CCO)Cc4ccccc4)c3c2c1.CC(=O)c1ccc2[nH]c3ncnc(N4CCC(C(=O)O)CC4)c3c2c1.CNC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)C1.Cc1ccc2[nH]c3nc(C)nc(N4CCCCC4)c3c2c1.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(=O)O)cc12.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(N)=O)cc12.Cl.Cl
InChIInChI=1S/C21H20N4O2.C19H21N5O2.C18H18N4O3.2C17H19N5O.C17H18N4O2.C17H20N4.2ClH/c1-14(27)16-7-8-18-17(11-16)19-20(24-18)22-13-23-21(19)25(9-10-26)12-15-5-3-2-4-6-15;1-11(25)13-3-4-16-15(9-13)17-18(23-16)20-10-21-19(17)24-7-5-14(6-8-24)22-12(2)26;1-10(23)12-2-3-14-13(8-12)15-16(21-14)19-9-20-17(15)22-6-4-11(5-7-22)18(24)25;1-10(23)11-3-4-14-13(7-11)15-16(21-14)19-9-20-17(15)22-6-5-12(8-22)18-2;1-10-19-16-14(17(20-10)22-7-3-2-4-8-22)12-9-11(15(18)23)5-6-13(12)21-16;1-10-18-15-14(16(19-10)21-7-3-2-4-8-21)12-9-11(17(22)23)5-6-13(12)20-15;1-11-6-7-14-13(10-11)15-16(20-14)18-12(2)19-17(15)21-8-4-3-5-9-21;;/h2-8,11,13,26H,9-10,12H2,1H3,(H,22,23,24);3-4,9-10,14H,5-8H2,1-2H3,(H,22,26)(H,20,21,23);2-3,8-9,11H,4-7H2,1H3,(H,24,25)(H,19,20,21);3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H2,18,23)(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H,22,23)(H,18,19,20);6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,20);2*1H
InChIKeyLTVVITSYJAZJNF-UHFFFAOYSA-N
MW2332.59 g/mol
LogP20.64
Rot. Bonds20

About 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride

1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride (PubChem CID 158774527) has the molecular formula C126H137Cl2N31O11 and a molecular weight of 2332.59 g/mol. Its IUPAC name is 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride
PubChem CID158774527
Molecular FormulaC126H137Cl2N31O11
Molecular Weight2332.59 g/mol
Exact Mass2330.05
IUPAC Name1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride
SMILESCC(=O)NC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)CC1.CC(=O)c1ccc2[nH]c3ncnc(N(CCO)Cc4ccccc4)c3c2c1.CC(=O)c1ccc2[nH]c3ncnc(N4CCC(C(=O)O)CC4)c3c2c1.CNC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)C1.Cc1ccc2[nH]c3nc(C)nc(N4CCCCC4)c3c2c1.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(=O)O)cc12.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(N)=O)cc12.Cl.Cl
InChIInChI=1S/C21H20N4O2.C19H21N5O2.C18H18N4O3.2C17H19N5O.C17H18N4O2.C17H20N4.2ClH/c1-14(27)16-7-8-18-17(11-16)19-20(24-18)22-13-23-21(19)25(9-10-26)12-15-5-3-2-4-6-15;1-11(25)13-3-4-16-15(9-13)17-18(23-16)20-10-21-19(17)24-7-5-14(6-8-24)22-12(2)26;1-10(23)12-2-3-14-13(8-12)15-16(21-14)19-9-20-17(15)22-6-4-11(5-7-22)18(24)25;1-10(23)11-3-4-14-13(7-11)15-16(21-14)19-9-20-17(15)22-6-5-12(8-22)18-2;1-10-19-16-14(17(20-10)22-7-3-2-4-8-22)12-9-11(15(18)23)5-6-13(12)21-16;1-10-18-15-14(16(19-10)21-7-3-2-4-8-21)12-9-11(17(22)23)5-6-13(12)20-15;1-11-6-7-14-13(10-11)15-16(20-14)18-12(2)19-17(15)21-8-4-3-5-9-21;;/h2-8,11,13,26H,9-10,12H2,1H3,(H,22,23,24);3-4,9-10,14H,5-8H2,1-2H3,(H,22,26)(H,20,21,23);2-3,8-9,11H,4-7H2,1H3,(H,24,25)(H,19,20,21);3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H2,18,23)(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H,22,23)(H,18,19,20);6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,20);2*1H
InChIKeyLTVVITSYJAZJNF-UHFFFAOYSA-N
XLogP20.64
TPSA561.00 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.59
LogP ≤ 520.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159500266
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159845459
3-[[1-(3,3-Difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 159953482
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 161493805
3-[[1-(3,3-Difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 161983423
Acetic acid;3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ethane;tetrakis(formonitrile);hydroperoxyethane;methane;2-methylpyridine;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;pyridine;tris(2-pyridin-2-ylpyridine);ruthenium;ZINC
CID 157062088
6-amino-3-[2,4-dichloro-3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide;2-amino-5-(2,4-dichloro-3-propyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(methoxymethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]piperidin-2-one
CID 157068500
tert-butyl (3R,4S)-3-amino-4-methylpyrrolidine-1-carboxylate;tert-butyl (3R,4R)-3-methyl-4-(quinazolin-2-ylmethyl)pyrrolidine-1-carboxylate;2-chloroquinazoline;methane;2-[[(3R,4R)-4-methylpyrrolidin-3-yl]methyl]quinazoline;N-[4-[(3R,4R)-3-methyl-4-(quinazolin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide;4-(prop-2-enoylamino)benzoic acid
CID 157286497
1-[1-[butyl(pentyl)amino]ethyl]indole-4-carboxylic acid;N-butyl-N-pentyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;1H-indole-4-carboxylic acid;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157580975
3-[(5-benzoyl-7H-cyclopenta[d]pyrimidin-4-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-imidazol-1-ylpropan-2-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-pyridin-3-ylbutan-2-one;tert-butyl 2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate;tert-butyl 3-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanoate;[4-[3-(hydroxymethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 157590823

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride?
The IUPAC name of 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride (CID 158774527) is 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride is CC(=O)NC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)CC1.CC(=O)c1ccc2[nH]c3ncnc(N(CCO)Cc4ccccc4)c3c2c1.CC(=O)c1ccc2[nH]c3ncnc(N4CCC(C(=O)O)CC4)c3c2c1.CNC1CCN(c2ncnc3[nH]c4ccc(C(C)=O)cc4c23)C1.Cc1ccc2[nH]c3nc(C)nc(N4CCCCC4)c3c2c1.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(=O)O)cc12.Cc1nc(N2CCCCC2)c2c(n1)[nH]c1ccc(C(N)=O)cc12.Cl.Cl.
What is the InChIKey of 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride?
The InChIKey is LTVVITSYJAZJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C19H21N5O2.C18H18N4O3.2C17H19N5O.C17H18N4O2.C17H20N4.2ClH/c1-14(27)16-7-8-18-17(11-16)19-20(24-18)22-13-23-21(19)25(9-10-26)12-15-5-3-2-4-6-15;1-11(25)13-3-4-16-15(9-13)17-18(23-16)20-10-21-19(17)24-7-5-14(6-8-24)22-12(2)26;1-10(23)12-2-3-14-13(8-12)15-16(21-14)19-9-20-17(15)22-6-4-11(5-7-22)18(24)25;1-10(23)11-3-4-14-13(7-11)15-16(21-14)19-9-20-17(15)22-6-5-12(8-22)18-2;1-10-19-16-14(17(20-10)22-7-3-2-4-8-22)12-9-11(15(18)23)5-6-13(12)21-16;1-10-18-15-14(16(19-10)21-7-3-2-4-8-21)12-9-11(17(22)23)5-6-13(12)20-15;1-11-6-7-14-13(10-11)15-16(20-14)18-12(2)19-17(15)21-8-4-3-5-9-21;;/h2-8,11,13,26H,9-10,12H2,1H3,(H,22,23,24);3-4,9-10,14H,5-8H2,1-2H3,(H,22,26)(H,20,21,23);2-3,8-9,11H,4-7H2,1H3,(H,24,25)(H,19,20,21);3-4,7,9,12,18H,5-6,8H2,1-2H3,(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H2,18,23)(H,19,20,21);5-6,9H,2-4,7-8H2,1H3,(H,22,23)(H,18,19,20);6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,20);2*1H.
What are the key properties of 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride?
1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride has a molecular weight of 2332.59 g/mol, XLogP of 20.64, 20 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxylic acid;N-[1-(6-acetyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]acetamide;1-[4-[benzyl(2-hydroxyethyl)amino]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2,6-dimethyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole;1-[4-[3-(methylamino)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide;2-methyl-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 158774527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).