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

C25H29N3O2 — CID 95855701

IUPACN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29N3O2/c1-25(2)14-22(27-24(29)13-19-10-7-11-20(12-19)30-3)21-16-26-28(23(21)15-25)17-18-8-5-4-6-9-18/h4-12,16,22H,13-15,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyNVCUUQLRKDIQSX-JOCHJYFZSA-N
MW403.53 g/mol
LogP4.31
Rot. Bonds6

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

N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 95855701) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID95855701
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29N3O2/c1-25(2)14-22(27-24(29)13-19-10-7-11-20(12-19)30-3)21-16-26-28(23(21)15-25)17-18-8-5-4-6-9-18/h4-12,16,22H,13-15,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyNVCUUQLRKDIQSX-JOCHJYFZSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
CID 95855723
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 51591486
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 95855732
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
CID 110237895
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 25374120
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 45176650
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 25366356
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25461195
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 46402085

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide (CID 95855701) is N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is NVCUUQLRKDIQSX-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-25(2)14-22(27-24(29)13-19-10-7-11-20(12-19)30-3)21-16-26-28(23(21)15-25)17-18-8-5-4-6-9-18/h4-12,16,22H,13-15,17H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide?
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 95855701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).