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

C22H25N3O3 — CID 24790593

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-17(9-10-28-14)21(26)24-19-11-22(2,3)12-20-18(19)13-23-25(20)15-5-7-16(27-4)8-6-15/h5-10,13,19H,11-12H2,1-4H3,(H,24,26)
InChIKeyVKKQFVMXHJSPGG-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.23
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 24790593) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide
PubChem CID24790593
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-17(9-10-28-14)21(26)24-19-11-22(2,3)12-20-18(19)13-23-25(20)15-5-7-16(27-4)8-6-15/h5-10,13,19H,11-12H2,1-4H3,(H,24,26)
InChIKeyVKKQFVMXHJSPGG-UHFFFAOYSA-N
XLogP4.23
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
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-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24791757
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
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-furamide
CID 24793888
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24793912
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24816901
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3-furamide
CID 24816962

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide (CID 24790593) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccoc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is VKKQFVMXHJSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-17(9-10-28-14)21(26)24-19-11-22(2,3)12-20-18(19)13-23-25(20)15-5-7-16(27-4)8-6-15/h5-10,13,19H,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylfuran-3-carboxamide is sourced from PubChem (CID 24790593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).