1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine

C125H119FN40O — CID 157245191

IUPAC1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine
SMILESCc1cc(Cn2nc(C)c3cc(NC4=NCc5ncccc54)ccc32)co1.Cc1cc(Nc2[nH]nc3ncccc23)cc2c1cnn2C.Cc1nn(CC2CCC2)c2ccc(NC3=NCc4ncccc43)cc12.Cn1nc(C2(C)CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncc(F)cc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21
InChIInChI=1S/C21H19N5O.C20H21N5.C18H18N6.C17H15FN6.2C17H16N6.C15H14N6/c1-13-8-15(12-27-13)11-26-20-6-5-16(9-18(20)14(2)25-26)24-21-17-4-3-7-22-19(17)10-23-21;1-13-17-10-15(23-20-16-6-3-9-21-18(16)11-22-20)7-8-19(17)25(24-13)12-14-4-2-5-14;1-18(7-8-18)15-12-6-5-11(10-14(12)24(2)23-15)20-17-13-4-3-9-19-16(13)21-22-17;1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-13-6-10(18)8-19-16(13)21-22-17;2*1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-13-3-2-8-18-16(13)20-21-17;1-9-6-10(7-13-12(9)8-17-21(13)2)18-15-11-4-3-5-16-14(11)19-20-15/h3-9,12H,10-11H2,1-2H3,(H,23,24);3,6-10,14H,2,4-5,11-12H2,1H3,(H,22,23);3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21,22);4-9H,2-3H2,1H3,(H2,19,20,21,22);2*2-3,6-10H,4-5H2,1H3,(H2,18,19,20,21);3-8H,1-2H3,(H2,16,18,19,20)
InChIKeyAVRGWEPOWZCCKH-UHFFFAOYSA-N
MW2216.60 g/mol
LogP25.05
Rot. Bonds20

About 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine

1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine (PubChem CID 157245191) has the molecular formula C125H119FN40O and a molecular weight of 2216.60 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine
PubChem CID157245191
Molecular FormulaC125H119FN40O
Molecular Weight2216.60 g/mol
Exact Mass2215.05
IUPAC Name1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine
SMILESCc1cc(Cn2nc(C)c3cc(NC4=NCc5ncccc54)ccc32)co1.Cc1cc(Nc2[nH]nc3ncccc23)cc2c1cnn2C.Cc1nn(CC2CCC2)c2ccc(NC3=NCc4ncccc43)cc12.Cn1nc(C2(C)CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncc(F)cc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21
InChIInChI=1S/C21H19N5O.C20H21N5.C18H18N6.C17H15FN6.2C17H16N6.C15H14N6/c1-13-8-15(12-27-13)11-26-20-6-5-16(9-18(20)14(2)25-26)24-21-17-4-3-7-22-19(17)10-23-21;1-13-17-10-15(23-20-16-6-3-9-21-18(16)11-22-20)7-8-19(17)25(24-13)12-14-4-2-5-14;1-18(7-8-18)15-12-6-5-11(10-14(12)24(2)23-15)20-17-13-4-3-9-19-16(13)21-22-17;1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-13-6-10(18)8-19-16(13)21-22-17;2*1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-13-3-2-8-18-16(13)20-21-17;1-9-6-10(7-13-12(9)8-17-21(13)2)18-15-11-4-3-5-16-14(11)19-20-15/h3-9,12H,10-11H2,1-2H3,(H,23,24);3,6-10,14H,2,4-5,11-12H2,1H3,(H,22,23);3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21,22);4-9H,2-3H2,1H3,(H2,19,20,21,22);2*2-3,6-10H,4-5H2,1H3,(H2,18,19,20,21);3-8H,1-2H3,(H2,16,18,19,20)
InChIKeyAVRGWEPOWZCCKH-UHFFFAOYSA-N
XLogP25.05
TPSA480.44 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.60
LogP ≤ 525.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine?
The IUPAC name of 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine (CID 157245191) is 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine is Cc1cc(Cn2nc(C)c3cc(NC4=NCc5ncccc54)ccc32)co1.Cc1cc(Nc2[nH]nc3ncccc23)cc2c1cnn2C.Cc1nn(CC2CCC2)c2ccc(NC3=NCc4ncccc43)cc12.Cn1nc(C2(C)CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncc(F)cc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(C2CC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.
What is the InChIKey of 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine?
The InChIKey is AVRGWEPOWZCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C20H21N5.C18H18N6.C17H15FN6.2C17H16N6.C15H14N6/c1-13-8-15(12-27-13)11-26-20-6-5-16(9-18(20)14(2)25-26)24-21-17-4-3-7-22-19(17)10-23-21;1-13-17-10-15(23-20-16-6-3-9-21-18(16)11-22-20)7-8-19(17)25(24-13)12-14-4-2-5-14;1-18(7-8-18)15-12-6-5-11(10-14(12)24(2)23-15)20-17-13-4-3-9-19-16(13)21-22-17;1-24-14-7-11(4-5-12(14)15(23-24)9-2-3-9)20-17-13-6-10(18)8-19-16(13)21-22-17;2*1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-13-3-2-8-18-16(13)20-21-17;1-9-6-10(7-13-12(9)8-17-21(13)2)18-15-11-4-3-5-16-14(11)19-20-15/h3-9,12H,10-11H2,1-2H3,(H,23,24);3,6-10,14H,2,4-5,11-12H2,1H3,(H,22,23);3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21,22);4-9H,2-3H2,1H3,(H2,19,20,21,22);2*2-3,6-10H,4-5H2,1H3,(H2,18,19,20,21);3-8H,1-2H3,(H2,16,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine?
1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine has a molecular weight of 2216.60 g/mol, XLogP of 25.05, 20 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine;N-(3-cyclopropyl-1-methylindazol-6-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;bis(N-(3-cyclopropyl-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine);N-(1,4-dimethylindazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylcyclopropyl)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-methyl-1-[(5-methylfuran-3-yl)methyl]-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-5-amine is sourced from PubChem (CID 157245191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).