methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide

C68H91N15O4 — CID 159474098

IUPACmethane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide
SMILESC.C.C.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)N(C)C4CCN(C)CC4)cc3c2)o1
InChIInChI=1S/C22H27N5O.C22H26N4O2.C21H26N6O.3CH4/c1-25-8-6-21(7-9-25)27(3)22(28)12-20-11-18-10-16(4-5-17(18)13-23-20)19-14-24-26(2)15-19;1-15-23-14-21(28-15)16-4-5-17-13-24-19(11-18(17)10-16)12-22(27)26(3)20-6-8-25(2)9-7-20;1-25-8-6-19(7-9-25)27(3)21(28)12-18-11-17-10-15(4-5-16(17)13-22-18)20-14-26(2)24-23-20;;;/h4-5,10-11,13-15,21H,6-9,12H2,1-3H3;4-5,10-11,13-14,20H,6-9,12H2,1-3H3;4-5,10-11,13-14,19H,6-9,12H2,1-3H3;3*1H4
InChIKeyLWDWATVAQLHGNJ-UHFFFAOYSA-N
MW1182.58 g/mol
LogP10.06
Rot. Bonds12

About methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide

methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide (PubChem CID 159474098) has the molecular formula C68H91N15O4 and a molecular weight of 1182.58 g/mol. Its IUPAC name is methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide.

Molecular Properties

Compound Namemethane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide
PubChem CID159474098
Molecular FormulaC68H91N15O4
Molecular Weight1182.58 g/mol
Exact Mass1181.74
IUPAC Namemethane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide
SMILESC.C.C.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)N(C)C4CCN(C)CC4)cc3c2)o1
InChIInChI=1S/C22H27N5O.C22H26N4O2.C21H26N6O.3CH4/c1-25-8-6-21(7-9-25)27(3)22(28)12-20-11-18-10-16(4-5-17(18)13-23-20)19-14-24-26(2)15-19;1-15-23-14-21(28-15)16-4-5-17-13-24-19(11-18(17)10-16)12-22(27)26(3)20-6-8-25(2)9-7-20;1-25-8-6-19(7-9-25)27(3)21(28)12-18-11-17-10-15(4-5-16(17)13-22-18)20-14-26(2)24-23-20;;;/h4-5,10-11,13-15,21H,6-9,12H2,1-3H3;4-5,10-11,13-14,20H,6-9,12H2,1-3H3;4-5,10-11,13-14,19H,6-9,12H2,1-3H3;3*1H4
InChIKeyLWDWATVAQLHGNJ-UHFFFAOYSA-N
XLogP10.06
TPSA183.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.58
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide 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

1-[4-(1-Cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158519947
4-(1-Cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 160139773
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(1-fluorocyclohexyl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]propan-2-one;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylcyclohexyl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetamide;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone
CID 160480527
5-[1-[4-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxypyrazol-1-yl]ethyl]-N,N-dimethylpyridine-2-carboxamide;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-isocyano-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167581515
[8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-[4-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]methanone
CID 9849884
2-(6-Pyridin-3-yl-2-pyridinyl)-5-[4-[2-(6-pyridin-3-yl-2-pyridinyl)-1,3-oxazol-5-yl]naphthalen-1-yl]-1,3-oxazole
CID 57702743
5-(6-Pyridin-3-yl-2-pyridinyl)-2-[4-[5-(6-pyridin-3-yl-2-pyridinyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
CID 57702744
2-(2-Pyridin-3-yl-4-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-4-pyridinyl)-1,3-oxazol-5-yl]naphthalen-1-yl]-1,3-oxazole
CID 57702840
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 66913509
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 66913511
(E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 67004228
1-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-2-[5-(5-methyl-1,3-oxazol-2-yl)naphthalen-1-yl]ethanone
CID 70206672

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide?
The IUPAC name of methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide (CID 159474098) is methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide.
What is the SMILES notation for methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide?
The canonical SMILES for methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide is C.C.C.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(N(C)C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)N(C)C4CCN(C)CC4)cc3c2)o1.
What is the InChIKey of methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide?
The InChIKey is LWDWATVAQLHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.C22H26N4O2.C21H26N6O.3CH4/c1-25-8-6-21(7-9-25)27(3)22(28)12-20-11-18-10-16(4-5-17(18)13-23-20)19-14-24-26(2)15-19;1-15-23-14-21(28-15)16-4-5-17-13-24-19(11-18(17)10-16)12-22(27)26(3)20-6-8-25(2)9-7-20;1-25-8-6-19(7-9-25)27(3)21(28)12-18-11-17-10-15(4-5-16(17)13-22-18)20-14-26(2)24-23-20;;;/h4-5,10-11,13-15,21H,6-9,12H2,1-3H3;4-5,10-11,13-14,20H,6-9,12H2,1-3H3;4-5,10-11,13-14,19H,6-9,12H2,1-3H3;3*1H4.
What are the key properties of methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide?
methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide has a molecular weight of 1182.58 g/mol, XLogP of 10.06, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-N-(1-methylpiperidin-4-yl)acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetamide is sourced from PubChem (CID 159474098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).