6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

C127H112N48O8 — CID 159159073

IUPAC6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCCC5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C23H22N8O.C22H16N8O2.C22H20N8O.C21H20N8O.C20H18N8O2.C19H16N8O/c32-22-16-10-9-14(11-19(16)29-31-22)24-23-25-17-8-4-3-7-15(17)21(27-23)26-20-12-18(28-30-20)13-5-1-2-6-13;31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18;31-21-15-9-8-13(10-18(15)28-30-21)23-22-24-16-7-2-1-6-14(16)20(26-22)25-19-11-17(27-29-19)12-4-3-5-12;1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30;1-30-10-12-9-17(27-25-12)23-18-13-4-2-3-5-15(13)22-20(24-18)21-11-6-7-14-16(8-11)26-28-19(14)29;1-10-8-16(26-24-10)22-17-12-4-2-3-5-14(12)21-19(23-17)20-11-6-7-13-15(9-11)25-27-18(13)28/h3-4,7-13H,1-2,5-6H2,(H2,29,31,32)(H3,24,25,26,27,28,30);1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29);1-2,6-12H,3-5H2,(H2,28,30,31)(H3,23,24,25,26,27,29);3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,10H2,1H3,(H2,26,28,29)(H3,21,22,23,24,25,27);2-9H,1H3,(H2,25,27,28)(H3,20,21,22,23,24,26)
InChIKeyKKGOTJZLMJZODQ-UHFFFAOYSA-N
MW2438.62 g/mol
LogP23.82
Rot. Bonds30

About 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 159159073) has the molecular formula C127H112N48O8 and a molecular weight of 2438.62 g/mol. Its IUPAC name is 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID159159073
Molecular FormulaC127H112N48O8
Molecular Weight2438.62 g/mol
Exact Mass2436.98
IUPAC Name6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCCC5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C23H22N8O.C22H16N8O2.C22H20N8O.C21H20N8O.C20H18N8O2.C19H16N8O/c32-22-16-10-9-14(11-19(16)29-31-22)24-23-25-17-8-4-3-7-15(17)21(27-23)26-20-12-18(28-30-20)13-5-1-2-6-13;31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18;31-21-15-9-8-13(10-18(15)28-30-21)23-22-24-16-7-2-1-6-14(16)20(26-22)25-19-11-17(27-29-19)12-4-3-5-12;1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30;1-30-10-12-9-17(27-25-12)23-18-13-4-2-3-5-15(13)22-20(24-18)21-11-6-7-14-16(8-11)26-28-19(14)29;1-10-8-16(26-24-10)22-17-12-4-2-3-5-14(12)21-19(23-17)20-11-6-7-13-15(9-11)25-27-18(13)28/h3-4,7-13H,1-2,5-6H2,(H2,29,31,32)(H3,24,25,26,27,28,30);1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29);1-2,6-12H,3-5H2,(H2,28,30,31)(H3,23,24,25,26,27,29);3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,10H2,1H3,(H2,26,28,29)(H3,21,22,23,24,25,27);2-9H,1H3,(H2,25,27,28)(H3,20,21,22,23,24,26)
InChIKeyKKGOTJZLMJZODQ-UHFFFAOYSA-N
XLogP23.82
TPSA785.39 Ų
H-Bond Donors30
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.62
LogP ≤ 523.82
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1038

Analyze 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-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

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 57498031
6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 58935929
6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 58936136
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N,N-dimethylpyrimidine-5-carboxamide
CID 157892825
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
CID 158116781
6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one
CID 158518477
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one
CID 158729706
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 159521800
6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;bis(6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one)
CID 159877525
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(2-oxopropyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
CID 159910223
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 160699181
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-N-methylpyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
CID 160712923

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 159159073) is 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is CC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.COCc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CCCC5)[nH]n4)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is KKGOTJZLMJZODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O.C22H16N8O2.C22H20N8O.C21H20N8O.C20H18N8O2.C19H16N8O/c32-22-16-10-9-14(11-19(16)29-31-22)24-23-25-17-8-4-3-7-15(17)21(27-23)26-20-12-18(28-30-20)13-5-1-2-6-13;31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18;31-21-15-9-8-13(10-18(15)28-30-21)23-22-24-16-7-2-1-6-14(16)20(26-22)25-19-11-17(27-29-19)12-4-3-5-12;1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30;1-30-10-12-9-17(27-25-12)23-18-13-4-2-3-5-15(13)22-20(24-18)21-11-6-7-14-16(8-11)26-28-19(14)29;1-10-8-16(26-24-10)22-17-12-4-2-3-5-14(12)21-19(23-17)20-11-6-7-13-15(9-11)25-27-18(13)28/h3-4,7-13H,1-2,5-6H2,(H2,29,31,32)(H3,24,25,26,27,28,30);1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29);1-2,6-12H,3-5H2,(H2,28,30,31)(H3,23,24,25,26,27,29);3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,10H2,1H3,(H2,26,28,29)(H3,21,22,23,24,25,27);2-9H,1H3,(H2,25,27,28)(H3,20,21,22,23,24,26).
What are the key properties of 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 2438.62 g/mol, XLogP of 23.82, 30 rotatable bonds, 30 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159159073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).