1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole

C71H84N14O7S2 — CID 159104945

IUPAC1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1.CC(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H20N2O.C14H17N3O.C14H15N3O.C13H17N3O2S.C13H15N3O2S/c1-12(2)17(20)19-9-7-13(8-10-19)15-11-18-16-6-4-3-5-14(15)16;1-11(18)16-6-8-17(9-7-16)14-10-15-13-5-3-2-4-12(13)14;1-10(18)17-8-6-11(7-9-17)14-12-4-2-3-5-13(12)15-16-14;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13;1-19(17,18)16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h3-7,11-12,18H,8-10H2,1-2H3;2-5,10,15H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,15,16);2-5,10,14H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,14,15)
InChIKeyKDTKZJISQXHGSV-UHFFFAOYSA-N
MW1309.68 g/mol
LogP10.34
Rot. Bonds8

About 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole

1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole (PubChem CID 159104945) has the molecular formula C71H84N14O7S2 and a molecular weight of 1309.68 g/mol. Its IUPAC name is 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole.

Molecular Properties

Compound Name1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole
PubChem CID159104945
Molecular FormulaC71H84N14O7S2
Molecular Weight1309.68 g/mol
Exact Mass1308.61
IUPAC Name1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1.CC(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H20N2O.C14H17N3O.C14H15N3O.C13H17N3O2S.C13H15N3O2S/c1-12(2)17(20)19-9-7-13(8-10-19)15-11-18-16-6-4-3-5-14(15)16;1-11(18)16-6-8-17(9-7-16)14-10-15-13-5-3-2-4-12(13)14;1-10(18)17-8-6-11(7-9-17)14-12-4-2-3-5-13(12)15-16-14;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13;1-19(17,18)16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h3-7,11-12,18H,8-10H2,1-2H3;2-5,10,15H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,15,16);2-5,10,14H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,14,15)
InChIKeyKDTKZJISQXHGSV-UHFFFAOYSA-N
XLogP10.34
TPSA246.90 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.68
LogP ≤ 510.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole?
The IUPAC name of 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole (CID 159104945) is 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole.
What is the SMILES notation for 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole?
The canonical SMILES for 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole is CC(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1.CC(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole?
The InChIKey is KDTKZJISQXHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C14H17N3O.C14H15N3O.C13H17N3O2S.C13H15N3O2S/c1-12(2)17(20)19-9-7-13(8-10-19)15-11-18-16-6-4-3-5-14(15)16;1-11(18)16-6-8-17(9-7-16)14-10-15-13-5-3-2-4-12(13)14;1-10(18)17-8-6-11(7-9-17)14-12-4-2-3-5-13(12)15-16-14;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13;1-19(17,18)16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h3-7,11-12,18H,8-10H2,1-2H3;2-5,10,15H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,15,16);2-5,10,14H,6-9H2,1H3;2-6H,7-9H2,1H3,(H,14,15).
What are the key properties of 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole?
1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole has a molecular weight of 1309.68 g/mol, XLogP of 10.34, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 159104945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).