N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide

C24H28N4O — CID 24817435

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C24H28N4O/c1-17-4-7-19(8-5-17)28-22-15-24(2,3)14-21(20(22)16-26-28)27-23(29)9-6-18-10-12-25-13-11-18/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,27,29)
InChIKeyIRBCCGZFSSXNPN-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.34
Rot. Bonds5

About N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide (PubChem CID 24817435) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
PubChem CID24817435
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C24H28N4O/c1-17-4-7-19(8-5-17)28-22-15-24(2,3)14-21(20(22)16-26-28)27-23(29)9-6-18-10-12-25-13-11-18/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,27,29)
InChIKeyIRBCCGZFSSXNPN-UHFFFAOYSA-N
XLogP4.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.34
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]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide (CID 24817435) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccncc2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is IRBCCGZFSSXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-4-7-19(8-5-17)28-22-15-24(2,3)14-21(20(22)16-26-28)27-23(29)9-6-18-10-12-25-13-11-18/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,27,29).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 4.34, 5 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]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 24817435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).