4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C189H278F5N35O3 — CID 161460794

IUPAC4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCCCCCCCC1.CC(C)N1CCCCCCCCC1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccnc(-n2ccc3ncccc3c2=O)c1.CCc1nn(C)c2cc(C(C)C)ccc12.CNc1nn(C)c2ccc(C(C)C)cc12.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1nn(C)c2c1CN(C(C)C)CC2.Cc1nn(C)c2ccc(-c3cc(C(C)C)ccn3)cc12.Cc1nnc2n1CCN(C(C)C)C2
InChIInChI=1S/C17H19N3.C16H15N3O.C13H18N2.C12H15F2N.C12H17N3.2C12H25N.2C11H19N3.3C11H16N2.C11H15N.C11H14O2.C9H13F3N4.C9H16N4/c1-11(2)13-7-8-18-16(10-13)14-5-6-17-15(9-14)12(3)19-20(17)4;1-11(2)12-5-8-18-15(10-12)19-9-6-14-13(16(19)20)4-3-7-17-14;1-5-12-11-7-6-10(9(2)3)8-13(11)15(4)14-12;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-8(2)9-5-6-11-10(7-9)12(13-3)14-15(11)4;2*1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)14-6-5-11-10(7-14)9(3)12-13(11)4;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h5-11H,1-4H3;3-11H,1-2H3;6-9H,5H2,1-4H3;3-6,9H,7-8H2,1-2H3;5-8H,1-4H3,(H,13,14);2*12H,3-11H2,1-2H3;2*8H,5-7H2,1-4H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6H,3-5H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyWBTXMKPXVNBYDR-UHFFFAOYSA-N
MW3183.53 g/mol
LogP38.71
Rot. Bonds20

About 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 161460794) has the molecular formula C189H278F5N35O3 and a molecular weight of 3183.53 g/mol. Its IUPAC name is 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID161460794
Molecular FormulaC189H278F5N35O3
Molecular Weight3183.53 g/mol
Exact Mass3181.26
IUPAC Name4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCCCCCCCC1.CC(C)N1CCCCCCCCC1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccnc(-n2ccc3ncccc3c2=O)c1.CCc1nn(C)c2cc(C(C)C)ccc12.CNc1nn(C)c2ccc(C(C)C)cc12.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1nn(C)c2c1CN(C(C)C)CC2.Cc1nn(C)c2ccc(-c3cc(C(C)C)ccn3)cc12.Cc1nnc2n1CCN(C(C)C)C2
InChIInChI=1S/C17H19N3.C16H15N3O.C13H18N2.C12H15F2N.C12H17N3.2C12H25N.2C11H19N3.3C11H16N2.C11H15N.C11H14O2.C9H13F3N4.C9H16N4/c1-11(2)13-7-8-18-16(10-13)14-5-6-17-15(9-14)12(3)19-20(17)4;1-11(2)12-5-8-18-15(10-12)19-9-6-14-13(16(19)20)4-3-7-17-14;1-5-12-11-7-6-10(9(2)3)8-13(11)15(4)14-12;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-8(2)9-5-6-11-10(7-9)12(13-3)14-15(11)4;2*1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)14-6-5-11-10(7-14)9(3)12-13(11)4;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h5-11H,1-4H3;3-11H,1-2H3;6-9H,5H2,1-4H3;3-6,9H,7-8H2,1-2H3;5-8H,1-4H3,(H,13,14);2*12H,3-11H2,1-2H3;2*8H,5-7H2,1-4H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6H,3-5H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyWBTXMKPXVNBYDR-UHFFFAOYSA-N
XLogP38.71
TPSA315.99 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.53
LogP ≤ 538.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 157176874
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 157758313
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(4-propan-2-ylpyrimidin-5-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-[[4-[4-(trifluoromethyl)-4H-imidazol-1-ium-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;iodide
CID 157772102
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
N-[(1S)-1-[8-[1-(cyanomethyl)pyrazol-4-yl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(5-fluoro-2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157981914
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159004653
N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159005180
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 159085972

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 161460794) is 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)N1CCCCCCCCC1.CC(C)N1CCCCCCCCC1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccnc(-n2ccc3ncccc3c2=O)c1.CCc1nn(C)c2cc(C(C)C)ccc12.CNc1nn(C)c2ccc(C(C)C)cc12.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1nn(C)c2c1CN(C(C)C)CC2.Cc1nn(C)c2ccc(-c3cc(C(C)C)ccn3)cc12.Cc1nnc2n1CCN(C(C)C)C2.
What is the InChIKey of 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WBTXMKPXVNBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.C16H15N3O.C13H18N2.C12H15F2N.C12H17N3.2C12H25N.2C11H19N3.3C11H16N2.C11H15N.C11H14O2.C9H13F3N4.C9H16N4/c1-11(2)13-7-8-18-16(10-13)14-5-6-17-15(9-14)12(3)19-20(17)4;1-11(2)12-5-8-18-15(10-12)19-9-6-14-13(16(19)20)4-3-7-17-14;1-5-12-11-7-6-10(9(2)3)8-13(11)15(4)14-12;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-8(2)9-5-6-11-10(7-9)12(13-3)14-15(11)4;2*1-12(2)13-10-8-6-4-3-5-7-9-11-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)14-6-5-11-10(7-14)9(3)12-13(11)4;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12;1-7(2)12-4-5-13-8(3)10-11-9(13)6-12/h5-11H,1-4H3;3-11H,1-2H3;6-9H,5H2,1-4H3;3-6,9H,7-8H2,1-2H3;5-8H,1-4H3,(H,13,14);2*12H,3-11H2,1-2H3;2*8H,5-7H2,1-4H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;6H,3-5H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3183.53 g/mol, XLogP of 38.71, 20 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 161460794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).