N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide

C22H25N5O — CID 45253119

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C22H25N5O/c1-22(2)12-19(26-21(28)9-8-16-14-23-10-11-24-16)18-15-25-27(20(18)13-22)17-6-4-3-5-7-17/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,26,28)
InChIKeyAKGBODBCOLQKOX-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.42
Rot. Bonds5

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide (PubChem CID 45253119) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
PubChem CID45253119
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C22H25N5O/c1-22(2)12-19(26-21(28)9-8-16-14-23-10-11-24-16)18-15-25-27(20(18)13-22)17-6-4-3-5-7-17/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,26,28)
InChIKeyAKGBODBCOLQKOX-UHFFFAOYSA-N
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-pyrazin-2-ylpropanamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide (CID 45253119) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCc2cnccn2)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide?
The InChIKey is AKGBODBCOLQKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2)12-19(26-21(28)9-8-16-14-23-10-11-24-16)18-15-25-27(20(18)13-22)17-6-4-3-5-7-17/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide has a molecular weight of 375.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-pyrazin-2-ylpropanamide is sourced from PubChem (CID 45253119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).