5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride

C23H24Cl4N6O — CID 174222780

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl.Cl.Cl
InChIInChI=1S/C23H22Cl2N6O.2ClH/c1-14(22-18(24)12-27-13-19(22)25)32-16-3-4-20-17(10-16)23(30-29-20)15-2-5-21(28-11-15)31-8-6-26-7-9-31;;/h2-5,10-14,26H,6-9H2,1H3,(H,29,30);2*1H
InChIKeyDEJDVCBYUIIKOZ-UHFFFAOYSA-N
MW542.30 g/mol
LogP5.72
Rot. Bonds5

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride (PubChem CID 174222780) has the molecular formula C23H24Cl4N6O and a molecular weight of 542.30 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
PubChem CID174222780
Molecular FormulaC23H24Cl4N6O
Molecular Weight542.30 g/mol
Exact Mass540.08
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl.Cl.Cl
InChIInChI=1S/C23H22Cl2N6O.2ClH/c1-14(22-18(24)12-27-13-19(22)25)32-16-3-4-20-17(10-16)23(30-29-20)15-2-5-21(28-11-15)31-8-6-26-7-9-31;;/h2-5,10-14,26H,6-9H2,1H3,(H,29,30);2*1H
InChIKeyDEJDVCBYUIIKOZ-UHFFFAOYSA-N
XLogP5.72
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.30
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,4-diazepan-5-one
CID 174222988
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
3-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
CID 167155919
[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 171408692
8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
CID 174223254
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647464
7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
CID 174222829
1-[6-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,2,2-trifluoroethanone
CID 171408881
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(8-methylsulfonyl-2,8-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-1H-indazole
CID 174223300
(3R)-3-tert-butyl-6-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 176890273
2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 175929882
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
CID 171408943

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride (CID 174222780) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride is CC(Oc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1)c1c(Cl)cncc1Cl.Cl.Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride?
The InChIKey is DEJDVCBYUIIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O.2ClH/c1-14(22-18(24)12-27-13-19(22)25)32-16-3-4-20-17(10-16)23(30-29-20)15-2-5-21(28-11-15)31-8-6-26-7-9-31;;/h2-5,10-14,26H,6-9H2,1H3,(H,29,30);2*1H.
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride has a molecular weight of 542.30 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride is sourced from PubChem (CID 174222780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).