4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine

C153H205F2N35O6 — CID 158154147

IUPAC4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
SMILESCC(=O)Nc1n[nH]c2cc(C(C)C)ccc12.CC(C)c1cc(F)c2c(N)n[nH]c2c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]nc(N)c2c1.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.COc1cc(C(C)C)cnc1N.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.Cc1[nH]nc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N3O.C11H14N2.2C11H13N.C10H12FN3.2C10H13N3.C10H12N2.C10H11NO.C9H15N3O.C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5(2)6-3-7(11)9-8(4-6)13-14-10(9)12;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-6(2)7-3-4-8-9(5-7)12-13-10(8)11;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-5(2)7-6(3)11-8(10)9(12-7)13-4;1-6(2)7-4-8(12-3)9(10)11-5-7;1-7(2)8-4-9(11-3)6-10-5-8;1-5(2)6-3-4-7(10)11-8(6)9;1-5(2)6-4-10-7(9)8(11-6)12-3;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);2*3-6H,1-2H3,(H3,11,12,13);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;3-5H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,9,10);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10)
InChIKeyFVLYXHAIIZBERZ-UHFFFAOYSA-N
MW2668.56 g/mol
LogP36.40
Rot. Bonds21

About 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine

4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine (PubChem CID 158154147) has the molecular formula C153H205F2N35O6 and a molecular weight of 2668.56 g/mol. Its IUPAC name is 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
PubChem CID158154147
Molecular FormulaC153H205F2N35O6
Molecular Weight2668.56 g/mol
Exact Mass2666.68
IUPAC Name4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
SMILESCC(=O)Nc1n[nH]c2cc(C(C)C)ccc12.CC(C)c1cc(F)c2c(N)n[nH]c2c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]nc(N)c2c1.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.COc1cc(C(C)C)cnc1N.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.Cc1[nH]nc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N3O.C11H14N2.2C11H13N.C10H12FN3.2C10H13N3.C10H12N2.C10H11NO.C9H15N3O.C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5(2)6-3-7(11)9-8(4-6)13-14-10(9)12;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-6(2)7-3-4-8-9(5-7)12-13-10(8)11;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-5(2)7-6(3)11-8(10)9(12-7)13-4;1-6(2)7-4-8(12-3)9(10)11-5-7;1-7(2)8-4-9(11-3)6-10-5-8;1-5(2)6-3-4-7(10)11-8(6)9;1-5(2)6-4-10-7(9)8(11-6)12-3;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);2*3-6H,1-2H3,(H3,11,12,13);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;3-5H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,9,10);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10)
InChIKeyFVLYXHAIIZBERZ-UHFFFAOYSA-N
XLogP36.40
TPSA658.79 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.56
LogP ≤ 536.40
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N,N-dimethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-methylidenepiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazol-5-yl]ethanone
CID 157191275
N-[3-[[2-(furan-3-yl)-9-methylpurin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;4-methyl-3-[[2-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157248494
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]pteridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydrooxepino[3,2-d]pyrimidin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157602563
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(5-morpholin-4-ylpentyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158692527
2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 158765164
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine (CID 158154147) is 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine is CC(=O)Nc1n[nH]c2cc(C(C)C)ccc12.CC(C)c1cc(F)c2c(N)n[nH]c2c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]nc(N)c2c1.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.COc1cc(C(C)C)cnc1N.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.Cc1[nH]nc2ccc(C(C)C)cc12.
What is the InChIKey of 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The InChIKey is FVLYXHAIIZBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C11H14N2.2C11H13N.C10H12FN3.2C10H13N3.C10H12N2.C10H11NO.C9H15N3O.C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-5(2)6-3-7(11)9-8(4-6)13-14-10(9)12;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-6(2)7-3-4-8-9(5-7)12-13-10(8)11;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-5(2)7-6(3)11-8(10)9(12-7)13-4;1-6(2)7-4-8(12-3)9(10)11-5-7;1-7(2)8-4-9(11-3)6-10-5-8;1-5(2)6-3-4-7(10)11-8(6)9;1-5(2)6-4-10-7(9)8(11-6)12-3;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);2*3-6H,1-2H3,(H3,11,12,13);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;3-5H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,9,10);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine has a molecular weight of 2668.56 g/mol, XLogP of 36.40, 21 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 158154147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).