2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile

C22H17Cl2N7O — CID 174223089

IUPAC2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile
SMILESCC(Oc1ccc2[nH]nc(-c3cnc(N4CCC4)c(C#N)c3)c2c1)c1c(Cl)cnnc1Cl
InChIInChI=1S/C22H17Cl2N7O/c1-12(19-17(23)11-27-30-21(19)24)32-15-3-4-18-16(8-15)20(29-28-18)14-7-13(9-25)22(26-10-14)31-5-2-6-31/h3-4,7-8,10-12H,2,5-6H2,1H3,(H,28,29)
InChIKeyLZPUHYCDHZEDKC-UHFFFAOYSA-N
MW466.33 g/mol
LogP4.94
Rot. Bonds5

About 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile

2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile (PubChem CID 174223089) has the molecular formula C22H17Cl2N7O and a molecular weight of 466.33 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile
PubChem CID174223089
Molecular FormulaC22H17Cl2N7O
Molecular Weight466.33 g/mol
Exact Mass465.09
IUPAC Name2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile
SMILESCC(Oc1ccc2[nH]nc(-c3cnc(N4CCC4)c(C#N)c3)c2c1)c1c(Cl)cnnc1Cl
InChIInChI=1S/C22H17Cl2N7O/c1-12(19-17(23)11-27-30-21(19)24)32-15-3-4-18-16(8-15)20(29-28-18)14-7-13(9-25)22(26-10-14)31-5-2-6-31/h3-4,7-8,10-12H,2,5-6H2,1H3,(H,28,29)
InChIKeyLZPUHYCDHZEDKC-UHFFFAOYSA-N
XLogP4.94
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-(4-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 171408998
5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-(4-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 174223047
5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-(3-methyl-3-pyrrolidin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 170708822
2-(azetidin-1-yl)-5-[6-chloro-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile
CID 174222815
5-[5-[(1R)-1-(3,5-dichloro-2-fluoro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171408876
5-[5-[1-(3,5-dichloro-2-fluoro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 174223233
5-[(1R)-1-(3,5-dimethylpyridazin-4-yl)ethoxy]-3-(5-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole
CID 164565920
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
CID 171408943
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
2-[3-(azetidin-1-yl)-3-methylazetidin-1-yl]-5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]pyridine-3-carbonitrile
CID 170709177
[4-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 174222938
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
CID 174222780

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile (CID 174223089) is 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile is CC(Oc1ccc2[nH]nc(-c3cnc(N4CCC4)c(C#N)c3)c2c1)c1c(Cl)cnnc1Cl.
What is the InChIKey of 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is LZPUHYCDHZEDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N7O/c1-12(19-17(23)11-27-30-21(19)24)32-15-3-4-18-16(8-15)20(29-28-18)14-7-13(9-25)22(26-10-14)31-5-2-6-31/h3-4,7-8,10-12H,2,5-6H2,1H3,(H,28,29).
What are the key properties of 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile?
2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 466.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-[5-[1-(3,5-dichloropyridazin-4-yl)ethoxy]-1H-indazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 174223089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).