2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C110H139ClN30O10 — CID 157438874

IUPAC2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCN(CCc1cn(C)c2ccc(Cl)cc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CN(Cc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4[nH]ccc34)CC2)nc1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4cc[nH]c34)CC2)nc1
InChIInChI=1S/C24H31ClN6O2.C24H32N6O2.C22H28N6O2.2C20H24N6O2/c1-3-30(9-8-18-16-29(2)22-5-4-20(25)12-21(18)22)15-17-6-10-31(11-7-17)24-26-13-19(14-27-24)23(32)28-33;1-3-29(11-10-19-17-28(2)22-7-5-4-6-21(19)22)16-18-8-12-30(13-9-18)24-25-14-20(15-26-24)23(31)27-32;1-26(14-18-15-27(2)20-6-4-3-5-19(18)20)13-16-7-9-28(10-8-16)22-23-11-17(12-24-22)21(29)25-30;27-19(25-28)16-12-23-20(24-13-16)26-8-5-14(6-9-26)10-21-11-15-2-1-3-18-17(15)4-7-22-18;27-19(25-28)17-12-23-20(24-13-17)26-8-5-14(6-9-26)10-21-11-16-3-1-2-15-4-7-22-18(15)16/h4-5,12-14,16-17,33H,3,6-11,15H2,1-2H3,(H,28,32);4-7,14-15,17-18,32H,3,8-13,16H2,1-2H3,(H,27,31);3-6,11-12,15-16,30H,7-10,13-14H2,1-2H3,(H,25,29);2*1-4,7,12-14,21-22,28H,5-6,8-11H2,(H,25,27)
InChIKeyBRKURNFZMOAREE-UHFFFAOYSA-N
MW2076.97 g/mol
LogP12.99
Rot. Bonds34

About 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 157438874) has the molecular formula C110H139ClN30O10 and a molecular weight of 2076.97 g/mol. Its IUPAC name is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID157438874
Molecular FormulaC110H139ClN30O10
Molecular Weight2076.97 g/mol
Exact Mass2075.10
IUPAC Name2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCN(CCc1cn(C)c2ccc(Cl)cc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CN(Cc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4[nH]ccc34)CC2)nc1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4cc[nH]c34)CC2)nc1
InChIInChI=1S/C24H31ClN6O2.C24H32N6O2.C22H28N6O2.2C20H24N6O2/c1-3-30(9-8-18-16-29(2)22-5-4-20(25)12-21(18)22)15-17-6-10-31(11-7-17)24-26-13-19(14-27-24)23(32)28-33;1-3-29(11-10-19-17-28(2)22-7-5-4-6-21(19)22)16-18-8-12-30(13-9-18)24-25-14-20(15-26-24)23(31)27-32;1-26(14-18-15-27(2)20-6-4-3-5-19(18)20)13-16-7-9-28(10-8-16)22-23-11-17(12-24-22)21(29)25-30;27-19(25-28)16-12-23-20(24-13-16)26-8-5-14(6-9-26)10-21-11-15-2-1-3-18-17(15)4-7-22-18;27-19(25-28)17-12-23-20(24-13-17)26-8-5-14(6-9-26)10-21-11-16-3-1-2-15-4-7-22-18(15)16/h4-5,12-14,16-17,33H,3,6-11,15H2,1-2H3,(H,28,32);4-7,14-15,17-18,32H,3,8-13,16H2,1-2H3,(H,27,31);3-6,11-12,15-16,30H,7-10,13-14H2,1-2H3,(H,25,29);2*1-4,7,12-14,21-22,28H,5-6,8-11H2,(H,25,27)
InChIKeyBRKURNFZMOAREE-UHFFFAOYSA-N
XLogP12.99
TPSA471.90 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.97
LogP ≤ 512.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 159219019
(E)-N-[3-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide;(E)-N-[3-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide;(E)-N-[4-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]-2-methylphenyl]-4-(dimethylamino)but-2-enamide;(E)-N-[4-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]piperidine-1-carbonyl]-3-methylphenyl]-4-(dimethylamino)but-2-enamide
CID 157113207
2-[4-[[(4-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 157258762
2-[4-[[(1,4-dimethylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(1,5-dimethylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(1,7-dimethylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(4-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-pentan-3-ylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 157461363
lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride
CID 157467166
1-benzyl-3-piperidin-4-ylindole;5-chloro-3-piperidin-4-yl-1H-indole;6-fluoro-3-piperidin-4-yl-1H-indole;3-[1-[(8-methylnaphthalen-1-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 157651703
[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;hydrochloride
CID 158054165
5-chloro-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-fluoro-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]butyl]-5-methyl-1H-indole
CID 158142829
[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-chloropyrimidine-5-carboxylic acid;(2-chloropyrimidin-5-yl)-pyrrolidin-1-ylmethanone;methane;pyrrolidine;hydrochloride
CID 158376463
5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-fluoro-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-5-methyl-1H-indole
CID 158654792
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-methylbenzamide;N-[3-[[5-chloro-4-(1-methylindol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)-5-propan-2-ylpyrimidin-2-yl]amino]phenyl]benzamide
CID 159228500
2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 159380213

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 157438874) is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CCN(CCc1cn(C)c2ccc(Cl)cc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CN(Cc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4[nH]ccc34)CC2)nc1.O=C(NO)c1cnc(N2CCC(CNCc3cccc4cc[nH]c34)CC2)nc1.
What is the InChIKey of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is BRKURNFZMOAREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2.C24H32N6O2.C22H28N6O2.2C20H24N6O2/c1-3-30(9-8-18-16-29(2)22-5-4-20(25)12-21(18)22)15-17-6-10-31(11-7-17)24-26-13-19(14-27-24)23(32)28-33;1-3-29(11-10-19-17-28(2)22-7-5-4-6-21(19)22)16-18-8-12-30(13-9-18)24-25-14-20(15-26-24)23(31)27-32;1-26(14-18-15-27(2)20-6-4-3-5-19(18)20)13-16-7-9-28(10-8-16)22-23-11-17(12-24-22)21(29)25-30;27-19(25-28)16-12-23-20(24-13-16)26-8-5-14(6-9-26)10-21-11-15-2-1-3-18-17(15)4-7-22-18;27-19(25-28)17-12-23-20(24-13-17)26-8-5-14(6-9-26)10-21-11-16-3-1-2-15-4-7-22-18(15)16/h4-5,12-14,16-17,33H,3,6-11,15H2,1-2H3,(H,28,32);4-7,14-15,17-18,32H,3,8-13,16H2,1-2H3,(H,27,31);3-6,11-12,15-16,30H,7-10,13-14H2,1-2H3,(H,25,29);2*1-4,7,12-14,21-22,28H,5-6,8-11H2,(H,25,27).
What are the key properties of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 2076.97 g/mol, XLogP of 12.99, 34 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 157438874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).