2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

C202H281ClF4N44O9 — CID 158607960

IUPAC2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnc(N(C)C)cn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CCN(C)c1cnc(C)cn1.CCN(CC)c1cnc(C)cn1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C12H20N4.2C10H12N2.3C10H13NO2.C9H10F3N.2C9H15N3.2C9H10N2.C9H13N.C8H10FN.C8H13N3.C8H12N2O.4C8H12N2.2C8H11NO.C7H9ClN2.C7H11N3/c1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-5-11-9(6-10-8)12(3)4;1-4-12(5-2)9-7-10-8(3)6-11-9;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-3-7(9)5-10-8;1-4-11(3)8-6-9-7(2)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;2*1-5(2)6-3-10-7(8)4-9-6/h8-10H,4-7H2,1-3H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;2*3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3;3-5H,1-2H3,(H2,8,10)
InChIKeyHWLWUOLMVXCKAB-UHFFFAOYSA-N
MW3581.21 g/mol
LogP45.20
Rot. Bonds32

About 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158607960) has the molecular formula C202H281ClF4N44O9 and a molecular weight of 3581.21 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158607960
Molecular FormulaC202H281ClF4N44O9
Molecular Weight3581.21 g/mol
Exact Mass3578.25
IUPAC Name2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnc(N(C)C)cn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CCN(C)c1cnc(C)cn1.CCN(CC)c1cnc(C)cn1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C12H20N4.2C10H12N2.3C10H13NO2.C9H10F3N.2C9H15N3.2C9H10N2.C9H13N.C8H10FN.C8H13N3.C8H12N2O.4C8H12N2.2C8H11NO.C7H9ClN2.C7H11N3/c1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-5-11-9(6-10-8)12(3)4;1-4-12(5-2)9-7-10-8(3)6-11-9;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-3-7(9)5-10-8;1-4-11(3)8-6-9-7(2)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;2*1-5(2)6-3-10-7(8)4-9-6/h8-10H,4-7H2,1-3H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;2*3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3;3-5H,1-2H3,(H2,8,10)
InChIKeyHWLWUOLMVXCKAB-UHFFFAOYSA-N
XLogP45.20
TPSA727.36 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds32
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003581.21
LogP ≤ 545.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine 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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158607960) is 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnc(N(C)C)cn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CCN(C)c1cnc(C)cn1.CCN(CC)c1cnc(C)cn1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)cn1.
What is the InChIKey of 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is HWLWUOLMVXCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.2C10H12N2.3C10H13NO2.C9H10F3N.2C9H15N3.2C9H10N2.C9H13N.C8H10FN.C8H13N3.C8H12N2O.4C8H12N2.2C8H11NO.C7H9ClN2.C7H11N3/c1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-5-11-9(6-10-8)12(3)4;1-4-12(5-2)9-7-10-8(3)6-11-9;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-3-7(9)5-10-8;1-4-11(3)8-6-9-7(2)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;2*1-5(2)6-3-10-7(8)4-9-6/h8-10H,4-7H2,1-3H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;3-6H,1-2H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;2*3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3;3-5H,1-2H3,(H2,8,10).
What are the key properties of 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?
2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3581.21 g/mol, XLogP of 45.20, 32 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158607960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).