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

C24H27N3O4 — CID 24816648

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C24H27N3O4/c1-14-10-21(28)31-15(2)22(14)23(29)26-19-11-24(3,4)12-20-18(19)13-25-27(20)16-6-8-17(30-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,26,29)
InChIKeyZGSULLXXKZNGDL-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.89
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 24816648) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID24816648
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C24H27N3O4/c1-14-10-21(28)31-15(2)22(14)23(29)26-19-11-24(3,4)12-20-18(19)13-25-27(20)16-6-8-17(30-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,26,29)
InChIKeyZGSULLXXKZNGDL-UHFFFAOYSA-N
XLogP3.89
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(+/-)-3-(4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68178614
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
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-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxamide
CID 24791156
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 24793838
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 24816648) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ZGSULLXXKZNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14-10-21(28)31-15(2)22(14)23(29)26-19-11-24(3,4)12-20-18(19)13-25-27(20)16-6-8-17(30-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.89, 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]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 24816648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).