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

C23H27N3O4 — CID 24817324

IUPAC5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)o1
InChIInChI=1S/C23H27N3O4/c1-23(2)11-19(25-22(27)21-10-9-17(30-21)14-28-3)18-13-24-26(20(18)12-23)15-5-7-16(29-4)8-6-15/h5-10,13,19H,11-12,14H2,1-4H3,(H,25,27)
InChIKeyZVMQNOLAIBYYEV-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.06
Rot. Bonds6

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

5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide (PubChem CID 24817324) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
PubChem CID24817324
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)o1
InChIInChI=1S/C23H27N3O4/c1-23(2)11-19(25-22(27)21-10-9-17(30-21)14-28-3)18-13-24-26(20(18)12-23)15-5-7-16(29-4)8-6-15/h5-10,13,19H,11-12,14H2,1-4H3,(H,25,27)
InChIKeyZVMQNOLAIBYYEV-UHFFFAOYSA-N
XLogP4.06
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
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-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methoxy-2-furamide
CID 24793103
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-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide
CID 24817733
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 24819168
5-(methoxymethyl)-N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16189939
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-[(methylthio)methyl]-2-furamide
CID 24790795
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methoxy-2-furamide
CID 24794118

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide (CID 24817324) is 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide is COCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The InChIKey is ZVMQNOLAIBYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(2)11-19(25-22(27)21-10-9-17(30-21)14-28-3)18-13-24-26(20(18)12-23)15-5-7-16(29-4)8-6-15/h5-10,13,19H,11-12,14H2,1-4H3,(H,25,27).
What are the key properties of 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 24817324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).