5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

C19H23N5O3S — CID 90400944

IUPAC5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCCOc1ccc2[nH]nc(-c3ccnc(N4CCN(S(C)(=O)=O)CC4)c3)c2c1
InChIInChI=1S/C19H23N5O3S/c1-3-27-15-4-5-17-16(13-15)19(22-21-17)14-6-7-20-18(12-14)23-8-10-24(11-9-23)28(2,25)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyMBFQNSWSBDFBCT-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.11
Rot. Bonds5

About 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (PubChem CID 90400944) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
PubChem CID90400944
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCCOc1ccc2[nH]nc(-c3ccnc(N4CCN(S(C)(=O)=O)CC4)c3)c2c1
InChIInChI=1S/C19H23N5O3S/c1-3-27-15-4-5-17-16(13-15)19(22-21-17)14-6-7-20-18(12-14)23-8-10-24(11-9-23)28(2,25)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyMBFQNSWSBDFBCT-UHFFFAOYSA-N
XLogP2.11
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-indazole
CID 123204578
5-[(3,5-dichloro-4-pyridinyl)methoxy]-3-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1H-indazole
CID 170708550
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 90400858
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
CID 90400906
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen
CID 144697851

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (CID 90400944) is 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is CCOc1ccc2[nH]nc(-c3ccnc(N4CCN(S(C)(=O)=O)CC4)c3)c2c1.
What is the InChIKey of 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The InChIKey is MBFQNSWSBDFBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-3-27-15-4-5-17-16(13-15)19(22-21-17)14-6-7-20-18(12-14)23-8-10-24(11-9-23)28(2,25)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22).
What are the key properties of 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole has a molecular weight of 401.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 90400944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).