1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one

C118H161F3N26O — CID 157259556

IUPAC1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
SMILESCC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(N3CCN(C)CC3)nn(C)c2c1.CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2C.CC(C)c1ccc2c(c1)c(N(C)C)nn2C.CC(C)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C22H29N5.2C16H24N4.C16H17N3.C14H19NO.C13H19N3.C12H16N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-12(2)13-5-6-15-14(11-13)16(17-19(15)4)20-9-7-18(3)8-10-20;1-12(2)13-5-6-14-15(11-13)19(4)17-16(14)20-9-7-18(3)8-10-20;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-9(2)10-6-7-12-11(8-10)14(3,4)13(16)15(12)5;1-9(2)10-6-7-12-11(8-10)13(15(3)4)14-16(12)5;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;2*5-6,11-12H,7-10H2,1-4H3;4-11H,1-3H3;2*6-9H,1-5H3;5-8H,1-4H3;6H,3-5H2,1-2H3
InChIKeyAXHJDYXKLHOWMK-UHFFFAOYSA-N
MW2016.76 g/mol
LogP22.83
Rot. Bonds14

About 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one

1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one (PubChem CID 157259556) has the molecular formula C118H161F3N26O and a molecular weight of 2016.76 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
PubChem CID157259556
Molecular FormulaC118H161F3N26O
Molecular Weight2016.76 g/mol
Exact Mass2015.33
IUPAC Name1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
SMILESCC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(N3CCN(C)CC3)nn(C)c2c1.CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2C.CC(C)c1ccc2c(c1)c(N(C)C)nn2C.CC(C)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C22H29N5.2C16H24N4.C16H17N3.C14H19NO.C13H19N3.C12H16N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-12(2)13-5-6-15-14(11-13)16(17-19(15)4)20-9-7-18(3)8-10-20;1-12(2)13-5-6-14-15(11-13)19(4)17-16(14)20-9-7-18(3)8-10-20;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-9(2)10-6-7-12-11(8-10)14(3,4)13(16)15(12)5;1-9(2)10-6-7-12-11(8-10)13(15(3)4)14-16(12)5;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;2*5-6,11-12H,7-10H2,1-4H3;4-11H,1-3H3;2*6-9H,1-5H3;5-8H,1-4H3;6H,3-5H2,1-2H3
InChIKeyAXHJDYXKLHOWMK-UHFFFAOYSA-N
XLogP22.83
TPSA209.64 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.76
LogP ≤ 522.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one?
The IUPAC name of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one (CID 157259556) is 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one is CC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(N3CCN(C)CC3)nn(C)c2c1.CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2C.CC(C)c1ccc2c(c1)c(N(C)C)nn2C.CC(C)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one?
The InChIKey is AXHJDYXKLHOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5.2C16H24N4.C16H17N3.C14H19NO.C13H19N3.C12H16N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-12(2)13-5-6-15-14(11-13)16(17-19(15)4)20-9-7-18(3)8-10-20;1-12(2)13-5-6-14-15(11-13)19(4)17-16(14)20-9-7-18(3)8-10-20;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-9(2)10-6-7-12-11(8-10)14(3,4)13(16)15(12)5;1-9(2)10-6-7-12-11(8-10)13(15(3)4)14-16(12)5;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;2*5-6,11-12H,7-10H2,1-4H3;4-11H,1-3H3;2*6-9H,1-5H3;5-8H,1-4H3;6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one?
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one has a molecular weight of 2016.76 g/mol, XLogP of 22.83, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one is sourced from PubChem (CID 157259556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).