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

C24H30N4O2 — CID 25461275

IUPACN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C24H30N4O2/c1-15-6-8-18(9-7-15)28-22-13-24(4,5)12-21(20(22)14-25-28)26-23(29)11-10-19-16(2)27-30-17(19)3/h6-9,14,21H,10-13H2,1-5H3,(H,26,29)/t21-/m1/s1
InChIKeyLBHOLUVWJDEAHD-OAQYLSRUSA-N
MW406.53 g/mol
LogP4.55
Rot. Bonds5

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

N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 25461275) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID25461275
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2c(C)noc2C)cc1
InChIInChI=1S/C24H30N4O2/c1-15-6-8-18(9-7-15)28-22-13-24(4,5)12-21(20(22)14-25-28)26-23(29)11-10-19-16(2)27-30-17(19)3/h6-9,14,21H,10-13H2,1-5H3,(H,26,29)/t21-/m1/s1
InChIKeyLBHOLUVWJDEAHD-OAQYLSRUSA-N
XLogP4.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 46959436
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 24794171
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42287055
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24791974
2-(1,3-benzodioxol-5-yl)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25460962
1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 97138121
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42195775
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42216860

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 25461275) is N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2c(C)noc2C)cc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is LBHOLUVWJDEAHD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-6-8-18(9-7-15)28-22-13-24(4,5)12-21(20(22)14-25-28)26-23(29)11-10-19-16(2)27-30-17(19)3/h6-9,14,21H,10-13H2,1-5H3,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 406.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 25461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).