5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one

C86H61F5N28O4 — CID 160792729

IUPAC5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one
SMILESCCc1cc(Nc2nc(-c3ccncc3)nc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5cccnc45)c4ccccc4n3)cc12.O=c1[nH][nH]c2ccc(-c3cc4ccccc4c(Nc4n[nH]c5c(F)cc(F)cc45)n3)c(C(F)(F)F)c12
InChIInChI=1S/C24H13F5N6O.C22H15N7O.C20H17N9O.C20H16N6O/c25-11-8-14-20(15(26)9-11)33-34-22(14)31-21-12-4-2-1-3-10(12)7-17(30-21)13-5-6-16-18(23(36)35-32-16)19(13)24(27,28)29;30-22-14-10-12(7-8-16(14)26-29-22)18-11-19(13-4-1-2-5-15(13)24-18)25-21-20-17(27-28-21)6-3-9-23-20;1-2-13-10-16(28-26-13)22-20-24-17(11-5-7-21-8-6-11)23-18(25-20)12-3-4-15-14(9-12)19(30)29-27-15;1-11-8-18(25-23-11)22-19-14-5-3-2-4-12(14)10-17(21-19)13-6-7-16-15(9-13)20(27)26-24-16/h1-9H,(H2,32,35,36)(H2,30,31,33,34);1-11H,(H2,26,29,30)(H2,24,25,27,28);3-10H,2H2,1H3,(H2,27,29,30)(H2,22,23,24,25,26,28);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25)
InChIKeySCANQLNQLBBRAK-UHFFFAOYSA-N
MW1645.62 g/mol
LogP16.72
Rot. Bonds14

About 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one

5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one (PubChem CID 160792729) has the molecular formula C86H61F5N28O4 and a molecular weight of 1645.62 g/mol. Its IUPAC name is 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one
PubChem CID160792729
Molecular FormulaC86H61F5N28O4
Molecular Weight1645.62 g/mol
Exact Mass1644.54
IUPAC Name5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one
SMILESCCc1cc(Nc2nc(-c3ccncc3)nc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5cccnc45)c4ccccc4n3)cc12.O=c1[nH][nH]c2ccc(-c3cc4ccccc4c(Nc4n[nH]c5c(F)cc(F)cc45)n3)c(C(F)(F)F)c12
InChIInChI=1S/C24H13F5N6O.C22H15N7O.C20H17N9O.C20H16N6O/c25-11-8-14-20(15(26)9-11)33-34-22(14)31-21-12-4-2-1-3-10(12)7-17(30-21)13-5-6-16-18(23(36)35-32-16)19(13)24(27,28)29;30-22-14-10-12(7-8-16(14)26-29-22)18-11-19(13-4-1-2-5-15(13)24-18)25-21-20-17(27-28-21)6-3-9-23-20;1-2-13-10-16(28-26-13)22-20-24-17(11-5-7-21-8-6-11)23-18(25-20)12-3-4-15-14(9-12)19(30)29-27-15;1-11-8-18(25-23-11)22-19-14-5-3-2-4-12(14)10-17(21-19)13-6-7-16-15(9-13)20(27)26-24-16/h1-9H,(H2,32,35,36)(H2,30,31,33,34);1-11H,(H2,26,29,30)(H2,24,25,27,28);3-10H,2H2,1H3,(H2,27,29,30)(H2,22,23,24,25,26,28);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25)
InChIKeySCANQLNQLBBRAK-UHFFFAOYSA-N
XLogP16.72
TPSA460.56 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001645.62
LogP ≤ 516.72
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

5-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 57581147
5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935759
5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935773
5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]pteridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935828
5-[6-benzyl-4-[(5-fluoro-1H-indazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935943
5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936005
5-[5-benzyl-4-(1H-indazol-3-ylamino)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936046
5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936047
5-[2-amino-5-(1H-indazol-3-ylamino)pyrimido[4,5-d]pyrimidin-7-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936049
5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936200
5-[4-(5-aminopyridin-3-yl)-6-(1H-indazol-3-ylamino)-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936223
5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936253

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one (CID 160792729) is 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one is CCc1cc(Nc2nc(-c3ccncc3)nc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5cccnc45)c4ccccc4n3)cc12.O=c1[nH][nH]c2ccc(-c3cc4ccccc4c(Nc4n[nH]c5c(F)cc(F)cc45)n3)c(C(F)(F)F)c12.
What is the InChIKey of 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one?
The InChIKey is SCANQLNQLBBRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F5N6O.C22H15N7O.C20H17N9O.C20H16N6O/c25-11-8-14-20(15(26)9-11)33-34-22(14)31-21-12-4-2-1-3-10(12)7-17(30-21)13-5-6-16-18(23(36)35-32-16)19(13)24(27,28)29;30-22-14-10-12(7-8-16(14)26-29-22)18-11-19(13-4-1-2-5-15(13)24-18)25-21-20-17(27-28-21)6-3-9-23-20;1-2-13-10-16(28-26-13)22-20-24-17(11-5-7-21-8-6-11)23-18(25-20)12-3-4-15-14(9-12)19(30)29-27-15;1-11-8-18(25-23-11)22-19-14-5-3-2-4-12(14)10-17(21-19)13-6-7-16-15(9-13)20(27)26-24-16/h1-9H,(H2,32,35,36)(H2,30,31,33,34);1-11H,(H2,26,29,30)(H2,24,25,27,28);3-10H,2H2,1H3,(H2,27,29,30)(H2,22,23,24,25,26,28);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25).
What are the key properties of 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one?
5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one has a molecular weight of 1645.62 g/mol, XLogP of 16.72, 14 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5,7-difluoro-1H-indazol-3-yl)amino]isoquinolin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)quinolin-2-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160792729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).