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

C22H28N4O2 — CID 24791861

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C22H28N4O2/c1-22(2)13-18(24-20(27)10-12-25-11-6-9-21(25)28)17-15-23-26(19(17)14-22)16-7-4-3-5-8-16/h3-5,7-8,15,18H,6,9-14H2,1-2H3,(H,24,27)
InChIKeyUNQUOVIZUMBEJR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.01
Rot. Bonds5

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

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 24791861) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID24791861
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C22H28N4O2/c1-22(2)13-18(24-20(27)10-12-25-11-6-9-21(25)28)17-15-23-26(19(17)14-22)16-7-4-3-5-8-16/h3-5,7-8,15,18H,6,9-14H2,1-2H3,(H,24,27)
InChIKeyUNQUOVIZUMBEJR-UHFFFAOYSA-N
XLogP3.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.01
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-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide (CID 24791861) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCN2CCCC2=O)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is UNQUOVIZUMBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2)13-18(24-20(27)10-12-25-11-6-9-21(25)28)17-15-23-26(19(17)14-22)16-7-4-3-5-8-16/h3-5,7-8,15,18H,6,9-14H2,1-2H3,(H,24,27).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.01, 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-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24791861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).