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

C20H17N7 — CID 24957252

IUPAC2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4cnn(C)c4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C20H17N7/c1-11-16(7-21)19(17(8-22)12(2)24-11)13-4-5-18-15(6-13)20(26-25-18)14-9-23-27(3)10-14/h4-6,9-10,19,24H,1-3H3,(H,25,26)
InChIKeyCAAYKJWIBYQLKK-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.25
Rot. Bonds2

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

2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 24957252) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID24957252
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4cnn(C)c4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C20H17N7/c1-11-16(7-21)19(17(8-22)12(2)24-11)13-4-5-18-15(6-13)20(26-25-18)14-9-23-27(3)10-14/h4-6,9-10,19,24H,1-3H3,(H,25,26)
InChIKeyCAAYKJWIBYQLKK-UHFFFAOYSA-N
XLogP3.25
TPSA106.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile (CID 24957252) is 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH]nc(-c4cnn(C)c4)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is CAAYKJWIBYQLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-11-16(7-21)19(17(8-22)12(2)24-11)13-4-5-18-15(6-13)20(26-25-18)14-9-23-27(3)10-14/h4-6,9-10,19,24H,1-3H3,(H,25,26).
What are the key properties of 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 355.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24957252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).