2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

C16H13N5O — CID 24957253

IUPAC2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH][nH]c(=O)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H13N5O/c1-8-12(6-17)15(13(7-18)9(2)19-8)10-3-4-14-11(5-10)16(22)21-20-14/h3-5,15,19H,1-2H3,(H2,20,21,22)
InChIKeyYRXGOYOZVIBKNE-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.14
Rot. Bonds1

About 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 24957253) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID24957253
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH][nH]c(=O)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H13N5O/c1-8-12(6-17)15(13(7-18)9(2)19-8)10-3-4-14-11(5-10)16(22)21-20-14/h3-5,15,19H,1-2H3,(H2,20,21,22)
InChIKeyYRXGOYOZVIBKNE-UHFFFAOYSA-N
XLogP2.14
TPSA108.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 24957253) is 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH][nH]c(=O)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is YRXGOYOZVIBKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-8-12(6-17)15(13(7-18)9(2)19-8)10-3-4-14-11(5-10)16(22)21-20-14/h3-5,15,19H,1-2H3,(H2,20,21,22).
What are the key properties of 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 291.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24957253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).