N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

C27H30N4O2 — CID 24791534

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C27H30N4O2/c1-18-8-4-7-11-23(18)31-24-15-27(2,3)14-22(21(24)16-28-31)29-25(32)12-13-30-17-19-9-5-6-10-20(19)26(30)33/h4-11,16,22H,12-15,17H2,1-3H3,(H,29,32)
InChIKeyKCNCUMYWZUAVAZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.36
Rot. Bonds5

About N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 24791534) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID24791534
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)CCN1Cc2ccccc2C1=O
InChIInChI=1S/C27H30N4O2/c1-18-8-4-7-11-23(18)31-24-15-27(2,3)14-22(21(24)16-28-31)29-25(32)12-13-30-17-19-9-5-6-10-20(19)26(30)33/h4-11,16,22H,12-15,17H2,1-3H3,(H,29,32)
InChIKeyKCNCUMYWZUAVAZ-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.36
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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 24791534) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is Cc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)CCN1Cc2ccccc2C1=O.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is KCNCUMYWZUAVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-8-4-7-11-23(18)31-24-15-27(2,3)14-22(21(24)16-28-31)29-25(32)12-13-30-17-19-9-5-6-10-20(19)26(30)33/h4-11,16,22H,12-15,17H2,1-3H3,(H,29,32).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 442.56 g/mol, XLogP of 4.36, 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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 24791534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).