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

C23H26N4O — CID 24818920

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C23H26N4O/c1-23(2)14-20(26-22(28)9-8-17-10-12-24-13-11-17)19-16-25-27(21(19)15-23)18-6-4-3-5-7-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3,(H,26,28)
InChIKeyBGWXCNCXTKKRBL-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.03
Rot. Bonds5

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

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide (PubChem CID 24818920) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide
PubChem CID24818920
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C23H26N4O/c1-23(2)14-20(26-22(28)9-8-17-10-12-24-13-11-17)19-16-25-27(21(19)15-23)18-6-4-3-5-7-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3,(H,26,28)
InChIKeyBGWXCNCXTKKRBL-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.03
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-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide (CID 24818920) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2ccncc2)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is BGWXCNCXTKKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2)14-20(26-22(28)9-8-17-10-12-24-13-11-17)19-16-25-27(21(19)15-23)18-6-4-3-5-7-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 374.49 g/mol, XLogP of 4.03, 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-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 24818920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).