N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide

C22H24N4O — CID 24816965

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccccn2)cc1
InChIInChI=1S/C22H24N4O/c1-15-7-9-16(10-8-15)26-20-13-22(2,3)12-19(17(20)14-24-26)25-21(27)18-6-4-5-11-23-18/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)
InChIKeyAKIZCUBHHFSVJQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.02
Rot. Bonds3

About N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide (PubChem CID 24816965) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide
PubChem CID24816965
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccccn2)cc1
InChIInChI=1S/C22H24N4O/c1-15-7-9-16(10-8-15)26-20-13-22(2,3)12-19(17(20)14-24-26)25-21(27)18-6-4-5-11-23-18/h4-11,14,19H,12-13H2,1-3H3,(H,25,27)
InChIKeyAKIZCUBHHFSVJQ-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide (CID 24816965) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is AKIZCUBHHFSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-7-9-16(10-8-15)26-20-13-22(2,3)12-19(17(20)14-24-26)25-21(27)18-6-4-5-11-23-18/h4-11,14,19H,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 24816965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).