N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide

C22H25N3O3 — CID 24793103

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)o1
InChIInChI=1S/C22H25N3O3/c1-14-7-5-6-8-17(14)25-18-12-22(2,3)11-16(15(18)13-23-25)24-21(26)19-9-10-20(27-4)28-19/h5-10,13,16H,11-12H2,1-4H3,(H,24,26)
InChIKeyILKDNAHBQYJPDM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.23
Rot. Bonds4

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

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide (PubChem CID 24793103) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide
PubChem CID24793103
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)o1
InChIInChI=1S/C22H25N3O3/c1-14-7-5-6-8-17(14)25-18-12-22(2,3)11-16(15(18)13-23-25)24-21(26)19-9-10-20(27-4)28-19/h5-10,13,16H,11-12H2,1-4H3,(H,24,26)
InChIKeyILKDNAHBQYJPDM-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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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide (CID 24793103) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide is COc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)o1.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide?
The InChIKey is ILKDNAHBQYJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-5-6-8-17(14)25-18-12-22(2,3)11-16(15(18)13-23-25)24-21(26)19-9-10-20(27-4)28-19/h5-10,13,16H,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-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-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 24793103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).