4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C90H71F3N28O4S — CID 160976536

IUPAC4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCCc1c(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.Cc1cc(Nc2nc(-c3c(C)cc4[nH][nH]c(=O)c4c3C)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cc4c(=O)[nH][nH]c4cc3-c3ccccc3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5cccs5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C25H19N7O.C23H14F3N7OS.2C21H19N7O/c1-14-11-22(31-29-14)27-23-16-9-5-6-10-20(16)26-24(28-23)18-12-19-21(30-32-25(19)33)13-17(18)15-7-3-2-4-8-15;24-23(25,26)19-12(7-8-14-18(19)22(34)33-30-14)21-27-13-5-2-1-4-11(13)20(29-21)28-17-10-15(31-32-17)16-6-3-9-35-16;1-10-8-15-18(21(29)28-26-15)12(3)17(10)20-22-14-7-5-4-6-13(14)19(24-20)23-16-9-11(2)25-27-16;1-3-12-13(8-9-16-18(12)21(29)28-26-16)19-22-15-7-5-4-6-14(15)20(24-19)23-17-10-11(2)25-27-17/h2-13H,1H3,(H2,30,32,33)(H2,26,27,28,29,31);1-10H,(H2,30,33,34)(H2,27,28,29,31,32);4-9H,1-3H3,(H2,26,28,29)(H2,22,23,24,25,27);4-10H,3H2,1-2H3,(H2,26,28,29)(H2,22,23,24,25,27)
InChIKeySYYHTTGUKUCLIC-UHFFFAOYSA-N
MW1697.81 g/mol
LogP18.25
Rot. Bonds15

About 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 160976536) has the molecular formula C90H71F3N28O4S and a molecular weight of 1697.81 g/mol. Its IUPAC name is 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID160976536
Molecular FormulaC90H71F3N28O4S
Molecular Weight1697.81 g/mol
Exact Mass1696.59
IUPAC Name4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCCc1c(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.Cc1cc(Nc2nc(-c3c(C)cc4[nH][nH]c(=O)c4c3C)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cc4c(=O)[nH][nH]c4cc3-c3ccccc3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5cccs5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C25H19N7O.C23H14F3N7OS.2C21H19N7O/c1-14-11-22(31-29-14)27-23-16-9-5-6-10-20(16)26-24(28-23)18-12-19-21(30-32-25(19)33)13-17(18)15-7-3-2-4-8-15;24-23(25,26)19-12(7-8-14-18(19)22(34)33-30-14)21-27-13-5-2-1-4-11(13)20(29-21)28-17-10-15(31-32-17)16-6-3-9-35-16;1-10-8-15-18(21(29)28-26-15)12(3)17(10)20-22-14-7-5-4-6-13(14)19(24-20)23-16-9-11(2)25-27-16;1-3-12-13(8-9-16-18(12)21(29)28-26-16)19-22-15-7-5-4-6-14(15)20(24-19)23-17-10-11(2)25-27-17/h2-13H,1H3,(H2,30,32,33)(H2,26,27,28,29,31);1-10H,(H2,30,33,34)(H2,27,28,29,31,32);4-9H,1-3H3,(H2,26,28,29)(H2,22,23,24,25,27);4-10H,3H2,1-2H3,(H2,26,28,29)(H2,22,23,24,25,27)
InChIKeySYYHTTGUKUCLIC-UHFFFAOYSA-N
XLogP18.25
TPSA460.56 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.81
LogP ≤ 518.25
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Analyze 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935871
5-[4-[(5-butyl-1H-pyrazol-3-yl)amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157887985
4-chloro-5-[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;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;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-1,2-dihydroindazol-3-one
CID 158541136
5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 159875827
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
5-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4,5-dimethyl-6-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)amino]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 161985570
N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 157964236
6-[2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[2-[4-[(7-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one
CID 161959816

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 160976536) is 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is CCc1c(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.Cc1cc(Nc2nc(-c3c(C)cc4[nH][nH]c(=O)c4c3C)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cc4c(=O)[nH][nH]c4cc3-c3ccccc3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5cccs5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.
What is the InChIKey of 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is SYYHTTGUKUCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O.C23H14F3N7OS.2C21H19N7O/c1-14-11-22(31-29-14)27-23-16-9-5-6-10-20(16)26-24(28-23)18-12-19-21(30-32-25(19)33)13-17(18)15-7-3-2-4-8-15;24-23(25,26)19-12(7-8-14-18(19)22(34)33-30-14)21-27-13-5-2-1-4-11(13)20(29-21)28-17-10-15(31-32-17)16-6-3-9-35-16;1-10-8-15-18(21(29)28-26-15)12(3)17(10)20-22-14-7-5-4-6-13(14)19(24-20)23-16-9-11(2)25-27-16;1-3-12-13(8-9-16-18(12)21(29)28-26-16)19-22-15-7-5-4-6-14(15)20(24-19)23-17-10-11(2)25-27-17/h2-13H,1H3,(H2,30,32,33)(H2,26,27,28,29,31);1-10H,(H2,30,33,34)(H2,27,28,29,31,32);4-9H,1-3H3,(H2,26,28,29)(H2,22,23,24,25,27);4-10H,3H2,1-2H3,(H2,26,28,29)(H2,22,23,24,25,27).
What are the key properties of 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1697.81 g/mol, XLogP of 18.25, 15 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;4-ethyl-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-6-phenyl-1,2-dihydroindazol-3-one;5-[4-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160976536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).