5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one

C131H112F12N26O12 — CID 163924845

IUPAC5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one
SMILESCn1nc(-c2ccc3c(=O)[nH]ccc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(=O)[nH]ncc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(c2)CNC3=O)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3n[nH]c4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc21
InChIInChI=1S/C23H20F2N4O2.C22H19F2N5O2.C22H20F2N4O2.C22H18F2N4O2.C21H17F2N5O2.C21H18F2N4O2/c1-28-19-13-16(22(31)29-10-7-23(24,25)8-11-29)3-5-18(19)20(27-28)15-2-4-17-14(12-15)6-9-26-21(17)30;1-28-18-11-14(21(31)29-8-6-22(23,24)7-9-29)3-5-17(18)19(27-28)13-2-4-16-15(10-13)12-25-26-20(16)30;1-27-18-11-14(21(30)28-8-6-22(23,24)7-9-28)3-5-17(18)19(26-27)13-2-4-16-15(10-13)12-25-20(16)29;23-22(24)6-9-28(10-7-22)21(30)15-2-4-17-18(12-15)26-27-19(17)14-1-3-16-13(11-14)5-8-25-20(16)29;22-21(23)5-7-28(8-6-21)20(30)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-27-19(15)29;22-21(23)5-7-27(8-6-21)20(29)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-19(15)28/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,26,30);2-5,10-12H,6-9H2,1H3,(H,26,30);2-5,10-11H,6-9,12H2,1H3,(H,25,29);1-5,8,11-12H,6-7,9-10H2,(H,25,29)(H,26,27);1-4,9-11H,5-8H2,(H,25,26)(H,27,29);1-4,9-10H,5-8,11H2,(H,24,28)(H,25,26)
InChIKeyRDOBJKKXSPTQKG-UHFFFAOYSA-N
MW2470.48 g/mol
LogP21.28
Rot. Bonds12

About 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one

5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one (PubChem CID 163924845) has the molecular formula C131H112F12N26O12 and a molecular weight of 2470.48 g/mol. Its IUPAC name is 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one
PubChem CID163924845
Molecular FormulaC131H112F12N26O12
Molecular Weight2470.48 g/mol
Exact Mass2468.88
IUPAC Name5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one
SMILESCn1nc(-c2ccc3c(=O)[nH]ccc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(=O)[nH]ncc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(c2)CNC3=O)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3n[nH]c4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc21
InChIInChI=1S/C23H20F2N4O2.C22H19F2N5O2.C22H20F2N4O2.C22H18F2N4O2.C21H17F2N5O2.C21H18F2N4O2/c1-28-19-13-16(22(31)29-10-7-23(24,25)8-11-29)3-5-18(19)20(27-28)15-2-4-17-14(12-15)6-9-26-21(17)30;1-28-18-11-14(21(31)29-8-6-22(23,24)7-9-29)3-5-17(18)19(27-28)13-2-4-16-15(10-13)12-25-26-20(16)30;1-27-18-11-14(21(30)28-8-6-22(23,24)7-9-28)3-5-17(18)19(26-27)13-2-4-16-15(10-13)12-25-20(16)29;23-22(24)6-9-28(10-7-22)21(30)15-2-4-17-18(12-15)26-27-19(17)14-1-3-16-13(11-14)5-8-25-20(16)29;22-21(23)5-7-28(8-6-21)20(30)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-27-19(15)29;22-21(23)5-7-27(8-6-21)20(29)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-19(15)28/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,26,30);2-5,10-12H,6-9H2,1H3,(H,26,30);2-5,10-11H,6-9,12H2,1H3,(H,25,29);1-5,8,11-12H,6-7,9-10H2,(H,25,29)(H,26,27);1-4,9-11H,5-8H2,(H,25,26)(H,27,29);1-4,9-10H,5-8,11H2,(H,24,28)(H,25,26)
InChIKeyRDOBJKKXSPTQKG-UHFFFAOYSA-N
XLogP21.28
TPSA476.78 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.48
LogP ≤ 521.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one with MolForge

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Related Compounds

N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157161323
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 157243696
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-one;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-1-[5-(trifluoromethyl)-1H-indol-3-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-pyrrolo[3,2-c]pyridin-1-ylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157245939
2-[4-[(3S)-4,4-difluoro-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4,4-difluoro-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-5,5-difluoro-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3S)-5,5-difluoro-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4,4-difluoro-3-methylpiperidin-3-yl)phenyl]indazole-7-carboxamide;5-fluoro-2-[3-fluoro-4-[(3S)-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;5-fluoro-2-[3-fluoro-4-[(3R)-3-methylpiperidin-3-yl]phenyl]indazole-7-carboxamide;5-fluoro-2-[3-fluoro-4-(3-methylpiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 157248748
3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone
CID 157261189
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
1-(aminomethyl)-7-(1,3-dimethylpyrazol-4-yl)-3H-isoquinolin-4-one;1-(aminomethyl)-7-(5-methyl-1H-pyrazol-3-yl)-3H-isoquinolin-4-one;1-(aminomethyl)-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3H-isoquinolin-4-one;1-(aminomethyl)-7-(1-propylpyrazol-4-yl)-3H-isoquinolin-4-one;1-(aminomethyl)-7-(1,3,5-trimethylpyrazol-4-yl)-3H-isoquinolin-4-one;4-ethyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2H-phthalazin-1-one
CID 157517367
5-(5-amino-3-pyridinyl)-N-(6-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157523433

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one?
The IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one (CID 163924845) is 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one.
What is the SMILES notation for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one?
The canonical SMILES for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one is Cn1nc(-c2ccc3c(=O)[nH]ccc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(=O)[nH]ncc3c2)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.Cn1nc(-c2ccc3c(c2)CNC3=O)c2ccc(C(=O)N3CCC(F)(F)CC3)cc21.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)n[nH]c2c1)N1CCC(F)(F)CC1.O=C1NCc2cc(-c3n[nH]c4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc21.
What is the InChIKey of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one?
The InChIKey is RDOBJKKXSPTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2.C22H19F2N5O2.C22H20F2N4O2.C22H18F2N4O2.C21H17F2N5O2.C21H18F2N4O2/c1-28-19-13-16(22(31)29-10-7-23(24,25)8-11-29)3-5-18(19)20(27-28)15-2-4-17-14(12-15)6-9-26-21(17)30;1-28-18-11-14(21(31)29-8-6-22(23,24)7-9-29)3-5-17(18)19(27-28)13-2-4-16-15(10-13)12-25-26-20(16)30;1-27-18-11-14(21(30)28-8-6-22(23,24)7-9-28)3-5-17(18)19(26-27)13-2-4-16-15(10-13)12-25-20(16)29;23-22(24)6-9-28(10-7-22)21(30)15-2-4-17-18(12-15)26-27-19(17)14-1-3-16-13(11-14)5-8-25-20(16)29;22-21(23)5-7-28(8-6-21)20(30)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-27-19(15)29;22-21(23)5-7-27(8-6-21)20(29)13-2-4-16-17(10-13)25-26-18(16)12-1-3-15-14(9-12)11-24-19(15)28/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,26,30);2-5,10-12H,6-9H2,1H3,(H,26,30);2-5,10-11H,6-9,12H2,1H3,(H,25,29);1-5,8,11-12H,6-7,9-10H2,(H,25,29)(H,26,27);1-4,9-11H,5-8H2,(H,25,26)(H,27,29);1-4,9-10H,5-8,11H2,(H,24,28)(H,25,26).
What are the key properties of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one?
5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one has a molecular weight of 2470.48 g/mol, XLogP of 21.28, 12 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1H-indazol-3-yl]-2H-phthalazin-1-one;5-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-(4,4-difluoropiperidine-1-carbonyl)-1-methylindazol-3-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 163924845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).