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

C25H29N3O2 — CID 25374120

IUPACN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-25(2)15-21(27-24(29)14-13-18-9-7-8-12-23(18)30-3)20-17-26-28(22(20)16-25)19-10-5-4-6-11-19/h4-12,17,21H,13-16H2,1-3H3,(H,27,29)/t21-/m1/s1
InChIKeyQFZSDNZHMMVJHM-OAQYLSRUSA-N
MW403.53 g/mol
LogP4.64
Rot. Bonds6

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

N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 25374120) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID25374120
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-25(2)15-21(27-24(29)14-13-18-9-7-8-12-23(18)30-3)20-17-26-28(22(20)16-25)19-10-5-4-6-11-19/h4-12,17,21H,13-16H2,1-3H3,(H,27,29)/t21-/m1/s1
InChIKeyQFZSDNZHMMVJHM-OAQYLSRUSA-N
XLogP4.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
CID 45253119
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 45189876
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-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 42459358
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
CID 51494447
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
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
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide (CID 25374120) is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is QFZSDNZHMMVJHM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-25(2)15-21(27-24(29)14-13-18-9-7-8-12-23(18)30-3)20-17-26-28(22(20)16-25)19-10-5-4-6-11-19/h4-12,17,21H,13-16H2,1-3H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide?
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 403.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 25374120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).