4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C20H22N6O — CID 91333183

IUPAC4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOCCN(C)c1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C20H22N6O/c1-12-16(10-21)19(17(11-22)13(2)23-12)14-5-6-18-15(9-14)20(25-24-18)26(3)7-8-27-4/h5-6,9,16,19H,7-8H2,1-4H3,(H,24,25)
InChIKeyRWBZQZPFIBQLJC-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.14
Rot. Bonds5

About 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 91333183) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID91333183
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOCCN(C)c1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C20H22N6O/c1-12-16(10-21)19(17(11-22)13(2)23-12)14-5-6-18-15(9-14)20(25-24-18)26(3)7-8-27-4/h5-6,9,16,19H,7-8H2,1-4H3,(H,24,25)
InChIKeyRWBZQZPFIBQLJC-UHFFFAOYSA-N
XLogP3.14
TPSA101.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 91333183) is 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is COCCN(C)c1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12.
What is the InChIKey of 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is RWBZQZPFIBQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-12-16(10-21)19(17(11-22)13(2)23-12)14-5-6-18-15(9-14)20(25-24-18)26(3)7-8-27-4/h5-6,9,16,19H,7-8H2,1-4H3,(H,24,25).
What are the key properties of 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 362.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 91333183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).