6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one

C109H92FN37O6S — CID 158294645

IUPAC6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)s1.Cn1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)c1.O=c1[nH][nH]c2cc(Nc3cccc(Nc4cc(C5CC5)[nH]n4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4ccccn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4nccnn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4n[nH]c5cccc(F)c45)c4ccccc4n3)ccc12
InChIInChI=1S/C22H15FN8O.C19H18N6O.C18H15N5O.C17H16N6O.C17H15N5OS.C16H13N7O/c23-14-5-3-7-16-18(14)20(30-28-16)26-19-12-4-1-2-6-15(12)25-22(27-19)24-11-8-9-13-17(10-11)29-31-21(13)32;26-19-15-7-6-14(9-17(15)23-25-19)20-12-2-1-3-13(8-12)21-18-10-16(22-24-18)11-4-5-11;24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17;1-23-9-16(18-10-23)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-17(14)24;1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16/h1-10H,(H2,29,31,32)(H3,24,25,26,27,28,30);1-3,6-11,20H,4-5H2,(H2,21,22,24)(H2,23,25,26);1-11,20H,(H,19,21)(H2,22,23,24);2-10,19-20H,1H3,(H2,21,22,24);2-9,19H,1H3,(H,18,20)(H2,21,22,23);1-9,19H,(H,17,20,23)(H2,21,22,24)
InChIKeyGLTKGCYNPIWSHB-UHFFFAOYSA-N
MW2067.25 g/mol
LogP21.70
Rot. Bonds25

About 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one (PubChem CID 158294645) has the molecular formula C109H92FN37O6S and a molecular weight of 2067.25 g/mol. Its IUPAC name is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one
PubChem CID158294645
Molecular FormulaC109H92FN37O6S
Molecular Weight2067.25 g/mol
Exact Mass2065.77
IUPAC Name6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)s1.Cn1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)c1.O=c1[nH][nH]c2cc(Nc3cccc(Nc4cc(C5CC5)[nH]n4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4ccccn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4nccnn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4n[nH]c5cccc(F)c45)c4ccccc4n3)ccc12
InChIInChI=1S/C22H15FN8O.C19H18N6O.C18H15N5O.C17H16N6O.C17H15N5OS.C16H13N7O/c23-14-5-3-7-16-18(14)20(30-28-16)26-19-12-4-1-2-6-15(12)25-22(27-19)24-11-8-9-13-17(10-11)29-31-21(13)32;26-19-15-7-6-14(9-17(15)23-25-19)20-12-2-1-3-13(8-12)21-18-10-16(22-24-18)11-4-5-11;24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17;1-23-9-16(18-10-23)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-17(14)24;1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16/h1-10H,(H2,29,31,32)(H3,24,25,26,27,28,30);1-3,6-11,20H,4-5H2,(H2,21,22,24)(H2,23,25,26);1-11,20H,(H,19,21)(H2,22,23,24);2-10,19-20H,1H3,(H2,21,22,24);2-9,19H,1H3,(H,18,20)(H2,21,22,23);1-9,19H,(H,17,20,23)(H2,21,22,24)
InChIKeyGLTKGCYNPIWSHB-UHFFFAOYSA-N
XLogP21.70
TPSA601.67 Ų
H-Bond Donors26
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.25
LogP ≤ 521.70
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1030

Analyze 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one (CID 158294645) is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one is Cc1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)s1.Cn1cnc(Nc2cccc(Nc3ccc4c(=O)[nH][nH]c4c3)c2)c1.O=c1[nH][nH]c2cc(Nc3cccc(Nc4cc(C5CC5)[nH]n4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4ccccn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3cccc(Nc4nccnn4)c3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4n[nH]c5cccc(F)c45)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one?
The InChIKey is GLTKGCYNPIWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN8O.C19H18N6O.C18H15N5O.C17H16N6O.C17H15N5OS.C16H13N7O/c23-14-5-3-7-16-18(14)20(30-28-16)26-19-12-4-1-2-6-15(12)25-22(27-19)24-11-8-9-13-17(10-11)29-31-21(13)32;26-19-15-7-6-14(9-17(15)23-25-19)20-12-2-1-3-13(8-12)21-18-10-16(22-24-18)11-4-5-11;24-18-15-8-7-14(11-16(15)22-23-18)20-12-4-3-5-13(10-12)21-17-6-1-2-9-19-17;1-23-9-16(18-10-23)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-17(14)24;1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16/h1-10H,(H2,29,31,32)(H3,24,25,26,27,28,30);1-3,6-11,20H,4-5H2,(H2,21,22,24)(H2,23,25,26);1-11,20H,(H,19,21)(H2,22,23,24);2-10,19-20H,1H3,(H2,21,22,24);2-9,19H,1H3,(H,18,20)(H2,21,22,23);1-9,19H,(H,17,20,23)(H2,21,22,24).
What are the key properties of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one?
6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one has a molecular weight of 2067.25 g/mol, XLogP of 21.70, 25 rotatable bonds, 26 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[[4-[(4-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]anilino]-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)anilino]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)anilino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).