4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C18H17N5O — CID 91016224

IUPAC4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCOc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C18H17N5O/c1-4-24-18-13-7-12(5-6-16(13)22-23-18)17-14(8-19)10(2)21-11(3)15(17)9-20/h5-7,14,17H,4H2,1-3H3,(H,22,23)
InChIKeyCQVLTYCDDGFMQZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.46
Rot. Bonds3

About 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 91016224) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID91016224
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCOc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C18H17N5O/c1-4-24-18-13-7-12(5-6-16(13)22-23-18)17-14(8-19)10(2)21-11(3)15(17)9-20/h5-7,14,17H,4H2,1-3H3,(H,22,23)
InChIKeyCQVLTYCDDGFMQZ-UHFFFAOYSA-N
XLogP3.46
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 7392623
2,6-dimethyl-4-(3-methylsulfonyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91470733
2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91513057
4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 85485431
tert-butyl 4-[4-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]phenyl]piperazine-1-carboxylate
CID 91128226
4-[3-[4-(diethylamino)phenyl]sulfanyl-1H-indazol-5-yl]-5-isocyano-2,6-dimethyl-3,4-dihydropyridine-3-carbonitrile
CID 123637927
tert-butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)indazole-1-carboxylate
CID 91107843
tert-butyl 5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-3-[(4-fluorophenyl)methylsulfonylamino]indazole-1-carboxylate
CID 90711434
ethyl 3-[[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl]propanoate
CID 44547844
3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(2-piperidin-4-ylethyl)benzamide
CID 91112447
2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 141206258
N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide
CID 91182288

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 91016224) is 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CCOc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12.
What is the InChIKey of 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is CQVLTYCDDGFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-4-24-18-13-7-12(5-6-16(13)22-23-18)17-14(8-19)10(2)21-11(3)15(17)9-20/h5-7,14,17H,4H2,1-3H3,(H,22,23).
What are the key properties of 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 319.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 91016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).