N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide

C24H29N3O4 — CID 24791156

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2=CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C24H29N3O4/c1-23(2)12-19(26-22(29)21-10-16(28)11-24(3,4)31-21)18-14-25-27(20(18)13-23)15-6-8-17(30-5)9-7-15/h6-10,14,19H,11-13H2,1-5H3,(H,26,29)
InChIKeyMQMGKDGRWSUPJZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide (PubChem CID 24791156) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
PubChem CID24791156
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2=CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C24H29N3O4/c1-23(2)12-19(26-22(29)21-10-16(28)11-24(3,4)31-21)18-14-25-27(20(18)13-23)15-6-8-17(30-5)9-7-15/h6-10,14,19H,11-13H2,1-5H3,(H,26,29)
InChIKeyMQMGKDGRWSUPJZ-UHFFFAOYSA-N
XLogP3.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-2,5-dimethoxybenzamide
CID 24790794
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 24791125
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24816901
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 24817323
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723387
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)propanamide
CID 24791550
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24793900
5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-furamide
CID 24817324

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide (CID 24791156) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2=CC(=O)CC(C)(C)O2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
The InChIKey is MQMGKDGRWSUPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-23(2)12-19(26-22(29)21-10-16(28)11-24(3,4)31-21)18-14-25-27(20(18)13-23)15-6-8-17(30-5)9-7-15/h6-10,14,19H,11-13H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethyl-4-oxo-3H-pyran-6-carboxamide is sourced from PubChem (CID 24791156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).