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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine

C192H263F2N39O10 — CID 160678511

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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2c(c1)C(N)=NC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.CC1=NCc2ccc(C(C)C)cc21.CNc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1N.COc1cc(N)ncc1C(C)C.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.COc1ncc(C(C)C)cc1N
InChIInChI=1S/C12H15N3O.C12H15N.C12H14.C11H14N2.C11H13N.C10H12FN3.C10H13N3.C10H16N2O.C10H12N2.C10H11NO.C9H15N3O.3C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C8H11NO.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;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)7-3-4-8-9(5-7)12-13-10(8)11;1-7(2)8-5-9(13-4)10(11-3)12-6-8;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)7-5-11-9(10)4-8(7)12-3;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)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;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-6,8H,7H2,1-3H3;3,5-9H,4H2,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);3-6H,1-2H3,(H3,11,12,13);5-7H,1-4H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);2*4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;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);3-6H,1-2H3,(H,9,10);3-5H,1-2H3,(H2,8,9,10)
InChIKeyRNVLOBDHXYIDRQ-UHFFFAOYSA-N
MW3315.47 g/mol
LogP43.73
Rot. Bonds29

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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine (PubChem CID 160678511) has the molecular formula C192H263F2N39O10 and a molecular weight of 3315.47 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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine
PubChem CID160678511
Molecular FormulaC192H263F2N39O10
Molecular Weight3315.47 g/mol
Exact Mass3313.12
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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2c(c1)C(N)=NC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.CC1=NCc2ccc(C(C)C)cc21.CNc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1N.COc1cc(N)ncc1C(C)C.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.COc1ncc(C(C)C)cc1N
InChIInChI=1S/C12H15N3O.C12H15N.C12H14.C11H14N2.C11H13N.C10H12FN3.C10H13N3.C10H16N2O.C10H12N2.C10H11NO.C9H15N3O.3C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C8H11NO.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;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)7-3-4-8-9(5-7)12-13-10(8)11;1-7(2)8-5-9(13-4)10(11-3)12-6-8;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)7-5-11-9(10)4-8(7)12-3;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)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;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-6,8H,7H2,1-3H3;3,5-9H,4H2,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);3-6H,1-2H3,(H3,11,12,13);5-7H,1-4H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);2*4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;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);3-6H,1-2H3,(H,9,10);3-5H,1-2H3,(H2,8,9,10)
InChIKeyRNVLOBDHXYIDRQ-UHFFFAOYSA-N
XLogP43.73
TPSA773.65 Ų
H-Bond Donors19
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003315.47
LogP ≤ 543.73
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1042

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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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
N-cyclopropyl-5-[5-[[4-[2-[4-[2-[[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-3-[3-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]phenyl]-1,2,4-triazol-1-yl]methyl]cyclopropyl]-5-[[2-methyl-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]amino]-1H-indazol-7-yl]cyclopropyl]-1H-indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxypyridine-2-carboxamide
CID 156060839
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-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
CID 157245622
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
4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921661
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azanium;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921662
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
2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 158311803

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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine (CID 160678511) 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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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(=O)[nH]c1.CC(C)c1ccc(N)nc1.CC(C)c1ccc(N)nc1F.CC(C)c1ccc2c(N)n[nH]c2c1.CC(C)c1ccc2c(c1)C(N)=NC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1cnc(N)nc1.CC1=NCc2ccc(C(C)C)cc21.CNc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1N.COc1cc(N)ncc1C(C)C.COc1cncc(C(C)C)c1.COc1nc(C(C)C)c(C)nc1N.COc1nc(C(C)C)cnc1N.COc1ncc(C(C)C)cc1N.
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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine?
The InChIKey is RNVLOBDHXYIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C12H15N.C12H14.C11H14N2.C11H13N.C10H12FN3.C10H13N3.C10H16N2O.C10H12N2.C10H11NO.C9H15N3O.3C9H14N2O.C9H13NO.C8H11FN2.C8H13N3O.C8H12N2.C8H11NO.C7H11N3/c1-7(2)9-4-5-10-11(6-9)14-15-12(10)13-8(3)16;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;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)7-3-4-8-9(5-7)12-13-10(8)11;1-7(2)8-5-9(13-4)10(11-3)12-6-8;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)7-5-11-9(10)4-8(7)12-3;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)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;1-6(2)7-3-4-8(10)9-5-7;1-5(2)6-3-9-7(8)10-4-6/h4-7H,1-3H3,(H2,13,14,15,16);4-6,8H,7H2,1-3H3;3,5-9H,4H2,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,13);3-8,12H,1-2H3;3-5H,1-2H3,(H3,12,13,14);3-6H,1-2H3,(H3,11,12,13);5-7H,1-4H3,(H,11,12);3-7H,1-2H3,(H,11,12);3-7H,1-2H3;5H,1-4H3,(H2,10,11);2*4-6H,1-3H3,(H2,10,11);4-6H,10H2,1-3H3;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);3-6H,1-2H3,(H,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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine has a molecular weight of 3315.47 g/mol, XLogP of 43.73, 29 rotatable bonds, 19 hydrogen bond donors, and 42 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-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;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-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 160678511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).