2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile

C22H23N7O — CID 141206261

IUPAC2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile
SMILESCc1nc(C)c(C#N)c(-c2ccc3[nH]nc(NCCN4CCOCC4)c3c2)c1C#N
InChIInChI=1S/C22H23N7O/c1-14-18(12-23)21(19(13-24)15(2)26-14)16-3-4-20-17(11-16)22(28-27-20)25-5-6-29-7-9-30-10-8-29/h3-4,11H,5-10H2,1-2H3,(H2,25,27,28)
InChIKeyBJHJFTHDJYJIFN-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.73
Rot. Bonds5

About 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile

2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile (PubChem CID 141206261) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile
PubChem CID141206261
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile
SMILESCc1nc(C)c(C#N)c(-c2ccc3[nH]nc(NCCN4CCOCC4)c3c2)c1C#N
InChIInChI=1S/C22H23N7O/c1-14-18(12-23)21(19(13-24)15(2)26-14)16-3-4-20-17(11-16)22(28-27-20)25-5-6-29-7-9-30-10-8-29/h3-4,11H,5-10H2,1-2H3,(H2,25,27,28)
InChIKeyBJHJFTHDJYJIFN-UHFFFAOYSA-N
XLogP2.73
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile
CID 18507421
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)indazole-1-carboxylate;tert-butyl 5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-(2-hydroxyethylamino)indazole-1-carboxylate;5-isocyano-2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]-1,4-dihydropyridine-3-carbonitrile
CID 158681473
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile (CID 141206261) is 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile is Cc1nc(C)c(C#N)c(-c2ccc3[nH]nc(NCCN4CCOCC4)c3c2)c1C#N.
What is the InChIKey of 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile?
The InChIKey is BJHJFTHDJYJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-18(12-23)21(19(13-24)15(2)26-14)16-3-4-20-17(11-16)22(28-27-20)25-5-6-29-7-9-30-10-8-29/h3-4,11H,5-10H2,1-2H3,(H2,25,27,28).
What are the key properties of 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile has a molecular weight of 401.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(2-morpholin-4-ylethylamino)-1H-indazol-5-yl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 141206261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).