acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride

C79H118Cl2N12O7 — CID 157394293

IUPACacetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride
SMILESC.C.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC=O.CC=O.CC=O.Cc1cc(Cl)n2cncc2c1.Cc1cc(N2CCC(c3ccc(N)cc3)CC2)n2cncc2c1.Cl.Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H22N4.2C16H24N2O2.C11H16N2.C8H7ClN2.3C2H4O.3CH4.ClH/c1-14-10-18-12-21-13-23(18)19(11-14)22-8-6-16(7-9-22)15-2-4-17(20)5-3-15;2*1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-6-2-7-4-10-5-11(7)8(9)3-6;3*1-2-3;;;;/h2-5,10-13,16H,6-9,20H2,1H3;2*4-7,13H,8-11,17H2,1-3H3;1-4,10,13H,5-8,12H2;2-5H,1H3;3*2H,1H3;3*1H4;1H
InChIKeyAXNCIFPIWBKIOD-UHFFFAOYSA-N
MW1418.80 g/mol
LogP17.35
Rot. Bonds5

About acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride

acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride (PubChem CID 157394293) has the molecular formula C79H118Cl2N12O7 and a molecular weight of 1418.80 g/mol. Its IUPAC name is acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride.

Molecular Properties

Compound Nameacetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride
PubChem CID157394293
Molecular FormulaC79H118Cl2N12O7
Molecular Weight1418.80 g/mol
Exact Mass1416.86
IUPAC Nameacetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride
SMILESC.C.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC=O.CC=O.CC=O.Cc1cc(Cl)n2cncc2c1.Cc1cc(N2CCC(c3ccc(N)cc3)CC2)n2cncc2c1.Cl.Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H22N4.2C16H24N2O2.C11H16N2.C8H7ClN2.3C2H4O.3CH4.ClH/c1-14-10-18-12-21-13-23(18)19(11-14)22-8-6-16(7-9-22)15-2-4-17(20)5-3-15;2*1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-6-2-7-4-10-5-11(7)8(9)3-6;3*1-2-3;;;;/h2-5,10-13,16H,6-9,20H2,1H3;2*4-7,13H,8-11,17H2,1-3H3;1-4,10,13H,5-8,12H2;2-5H,1H3;3*2H,1H3;3*1H4;1H
InChIKeyAXNCIFPIWBKIOD-UHFFFAOYSA-N
XLogP17.35
TPSA264.24 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.80
LogP ≤ 517.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[4-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazine-1-carboxylate
CID 57398409
tert-butyl piperazine-1-carboxylate;3-chloro-6-imidazol-1-ylpyridazine;3,3-dichloro-1,1,1-trifluoropropan-2-one;3-imidazol-1-yl-6-piperazin-1-ylpyridazine;4-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-propan-2-ylaniline
CID 157596443
tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;2,2,2-trifluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)acetamide
CID 159066483
tert-butyl 4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]carbamoyl]piperidine-1-carboxylate;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 159919103
tert-butyl N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-[[5-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]-2-pyridinyl]methyl]carbamate;(E)-N-[6-[[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]methyl]-3-pyridinyl]-4-(dimethylamino)-N-methylbut-2-enamide;2,2,2-trifluoroacetaldehyde
CID 160341012
tert-butyl piperazine-1-carboxylate;3-chloro-6-imidazol-1-ylpyridazine;3-imidazol-1-yl-6-piperazin-1-ylpyridazine;4-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-propan-2-ylaniline;1,1,1-trifluoropropan-2-one
CID 161770565
tert-butyl 4-[5-(2-chlorophenyl)-7-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 44128318
tert-butyl (3R)-3-[[6-(6-chloroimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;2-tert-butyl-3-[[6-(6-chloroimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
CID 87100145
propan-2-yl N-[3-[6-[4-[(2-aminoacetyl)amino]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]carbamate;propan-2-yl N-[4-[2-[2-chloro-5-(propan-2-yloxycarbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]carbamate
CID 90457964
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 91141471
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(6-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 123404323

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride?
The IUPAC name of acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride (CID 157394293) is acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride.
What is the SMILES notation for acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride?
The canonical SMILES for acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride is C.C.C.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1.CC=O.CC=O.CC=O.Cc1cc(Cl)n2cncc2c1.Cc1cc(N2CCC(c3ccc(N)cc3)CC2)n2cncc2c1.Cl.Nc1ccc(C2CCNCC2)cc1.
What is the InChIKey of acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride?
The InChIKey is AXNCIFPIWBKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.2C16H24N2O2.C11H16N2.C8H7ClN2.3C2H4O.3CH4.ClH/c1-14-10-18-12-21-13-23(18)19(11-14)22-8-6-16(7-9-22)15-2-4-17(20)5-3-15;2*1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-6-2-7-4-10-5-11(7)8(9)3-6;3*1-2-3;;;;/h2-5,10-13,16H,6-9,20H2,1H3;2*4-7,13H,8-11,17H2,1-3H3;1-4,10,13H,5-8,12H2;2-5H,1H3;3*2H,1H3;3*1H4;1H.
What are the key properties of acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride?
acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride has a molecular weight of 1418.80 g/mol, XLogP of 17.35, 5 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;bis(tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate);5-chloro-7-methylimidazo[1,5-a]pyridine;methane;4-[1-(7-methylimidazo[1,5-a]pyridin-5-yl)piperidin-4-yl]aniline;4-piperidin-4-ylaniline;hydrochloride is sourced from PubChem (CID 157394293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).