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)

C74H74N28O6 — CID 159877525

IUPAC6-[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)
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C20H17N7O3.C20H23N7O.2C17H17N7O/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14;1-5-13-10-16(22-17-8-11(2)24-26-17)23-19(21-13)20(3,4)12-6-7-14-15(9-12)25-27-18(14)28;2*1-9-5-14(20-16-6-10(2)21-23-16)19-15(18-9)8-11-3-4-12-13(7-11)22-24-17(12)25/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26);6-10H,5H2,1-4H3,(H2,25,27,28)(H2,21,22,23,24,26);2*3-7H,8H2,1-2H3,(H2,22,24,25)(H2,18,19,20,21,23)
InChIKeyNTCGTRXCUZQDKR-UHFFFAOYSA-N
MW1451.60 g/mol
LogP11.21
Rot. Bonds19

About 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)

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) (PubChem CID 159877525) has the molecular formula C74H74N28O6 and a molecular weight of 1451.60 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name6-[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)
PubChem CID159877525
Molecular FormulaC74H74N28O6
Molecular Weight1451.60 g/mol
Exact Mass1450.63
IUPAC Name6-[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)
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C20H17N7O3.C20H23N7O.2C17H17N7O/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14;1-5-13-10-16(22-17-8-11(2)24-26-17)23-19(21-13)20(3,4)12-6-7-14-15(9-12)25-27-18(14)28;2*1-9-5-14(20-16-6-10(2)21-23-16)19-15(18-9)8-11-3-4-12-13(7-11)22-24-17(12)25/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26);6-10H,5H2,1-4H3,(H2,25,27,28)(H2,21,22,23,24,26);2*3-7H,8H2,1-2H3,(H2,22,24,25)(H2,18,19,20,21,23)
InChIKeyNTCGTRXCUZQDKR-UHFFFAOYSA-N
XLogP11.21
TPSA482.93 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001451.60
LogP ≤ 511.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Analyze 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) with MolForge

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Related Compounds

5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
CID 58936196
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
CID 145145214
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157370262
2-(2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylfuran-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylbenzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157581996
3-cyclopenta-1,4-dien-1-yl-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-cyclopenta-1,4-dien-1-yl-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 157659700
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
5-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;5-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylsulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;5-[[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
CID 157972573
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
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158444389
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158795000
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
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159433853

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Cc2ccc3c(=O)[nH][nH]c3c2)n1.
What is the InChIKey of 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)?
The InChIKey is NTCGTRXCUZQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3.C20H23N7O.2C17H17N7O/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14;1-5-13-10-16(22-17-8-11(2)24-26-17)23-19(21-13)20(3,4)12-6-7-14-15(9-12)25-27-18(14)28;2*1-9-5-14(20-16-6-10(2)21-23-16)19-15(18-9)8-11-3-4-12-13(7-11)22-24-17(12)25/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26);6-10H,5H2,1-4H3,(H2,25,27,28)(H2,21,22,23,24,26);2*3-7H,8H2,1-2H3,(H2,22,24,25)(H2,18,19,20,21,23).
What are the key properties of 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)?
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) has a molecular weight of 1451.60 g/mol, XLogP of 11.21, 19 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159877525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).