cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde

C83H102N20O2 — CID 158966180

IUPACcyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde
SMILESCc1cc(C(=O)N(Cc2cccc3[nH]ccc23)NC2CCC2)n[nH]1.NNC1CCC1.O=Cc1cccc2[nH]ccc12.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1
InChIInChI=1S/C18H21N5O.2C13H17N3.2C13H15N3.C9H7NO.C4H10N2/c1-12-10-17(21-20-12)18(24)23(22-14-5-3-6-14)11-13-4-2-7-16-15(13)8-9-19-16;4*1-3-10-7-8-14-13(10)11(4-1)9-15-16-12-5-2-6-12;11-6-7-2-1-3-9-8(7)4-5-10-9;5-6-4-2-1-3-4/h2,4,7-10,14,19,22H,3,5-6,11H2,1H3,(H,20,21);2*1,3-4,7-8,12,14-16H,2,5-6,9H2;2*1,3-4,7-8,12,14H,2,5-6,9H2;1-6,10H;4,6H,1-3,5H2/b;;;2*16-15+;;
InChIKeyJNFQYPFVIMBPNZ-DKOMGWSKSA-N
MW1411.87 g/mol
LogP16.86
Rot. Bonds21

About cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde

cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde (PubChem CID 158966180) has the molecular formula C83H102N20O2 and a molecular weight of 1411.87 g/mol. Its IUPAC name is cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde.

Molecular Properties

Compound Namecyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde
PubChem CID158966180
Molecular FormulaC83H102N20O2
Molecular Weight1411.87 g/mol
Exact Mass1410.85
IUPAC Namecyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde
SMILESCc1cc(C(=O)N(Cc2cccc3[nH]ccc23)NC2CCC2)n[nH]1.NNC1CCC1.O=Cc1cccc2[nH]ccc12.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1
InChIInChI=1S/C18H21N5O.2C13H17N3.2C13H15N3.C9H7NO.C4H10N2/c1-12-10-17(21-20-12)18(24)23(22-14-5-3-6-14)11-13-4-2-7-16-15(13)8-9-19-16;4*1-3-10-7-8-14-13(10)11(4-1)9-15-16-12-5-2-6-12;11-6-7-2-1-3-9-8(7)4-5-10-9;5-6-4-2-1-3-4/h2,4,7-10,14,19,22H,3,5-6,11H2,1H3,(H,20,21);2*1,3-4,7-8,12,14-16H,2,5-6,9H2;2*1,3-4,7-8,12,14H,2,5-6,9H2;1-6,10H;4,6H,1-3,5H2/b;;;2*16-15+;;
InChIKeyJNFQYPFVIMBPNZ-DKOMGWSKSA-N
XLogP16.86
TPSA308.44 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.87
LogP ≤ 516.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde with MolForge

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Related Compounds

N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
N-[2-(diethylamino)ethyl]-N-(1H-inden-4-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide;N-[2-(diethylamino)ethyl]-N-(3H-indol-7-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide;N-(1H-inden-4-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-(1H-indol-7-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 157517013
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2R)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269990
N-[2-(azepan-1-yl)ethyl]-N-(1H-indol-7-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-indol-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 161897036
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;methane;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 162091107
7-(1-methylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1H-indole-2-carboxamide
CID 118674959
N-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide;N-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
CID 136396450
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-[1-[6-methyl-3-[[[3-methyl-1-propan-2-yl-6-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]indole-4-carbonyl]amino]methyl]-2-oxo-1H-pyridin-4-yl]propan-2-yl]-6-(1H-pyrazol-4-yl)indole-4-carboxamide
CID 144276046
1-[3-[3-[3-(oxetane-3-carbonylamino)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl]butyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]indole-5-carboxamide
CID 145062729
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide;N-[3-(piperidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157156178
(7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane
CID 157168196

Frequently Asked Questions

What is the IUPAC name of cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde?
The IUPAC name of cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde (CID 158966180) is cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde.
What is the SMILES notation for cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde?
The canonical SMILES for cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde is Cc1cc(C(=O)N(Cc2cccc3[nH]ccc23)NC2CCC2)n[nH]1.NNC1CCC1.O=Cc1cccc2[nH]ccc12.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(C/N=N/C2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1.c1cc(CNNC2CCC2)c2[nH]ccc2c1.
What is the InChIKey of cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde?
The InChIKey is JNFQYPFVIMBPNZ-DKOMGWSKSA-N. The full InChI is InChI=1S/C18H21N5O.2C13H17N3.2C13H15N3.C9H7NO.C4H10N2/c1-12-10-17(21-20-12)18(24)23(22-14-5-3-6-14)11-13-4-2-7-16-15(13)8-9-19-16;4*1-3-10-7-8-14-13(10)11(4-1)9-15-16-12-5-2-6-12;11-6-7-2-1-3-9-8(7)4-5-10-9;5-6-4-2-1-3-4/h2,4,7-10,14,19,22H,3,5-6,11H2,1H3,(H,20,21);2*1,3-4,7-8,12,14-16H,2,5-6,9H2;2*1,3-4,7-8,12,14H,2,5-6,9H2;1-6,10H;4,6H,1-3,5H2/b;;;2*16-15+;;.
What are the key properties of cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde?
cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde has a molecular weight of 1411.87 g/mol, XLogP of 16.86, 21 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylhydrazine;bis(cyclobutyl(1H-indol-7-ylmethyl)diazene);bis(1-cyclobutyl-2-(1H-indol-7-ylmethyl)hydrazine);N'-cyclobutyl-N-(1H-indol-4-ylmethyl)-5-methyl-1H-pyrazole-3-carbohydrazide;1H-indole-4-carbaldehyde is sourced from PubChem (CID 158966180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).