1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one

C26H28N4O3 — CID 157190846

IUPAC1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one
SMILESCOc1ccc(Cn2ncc3c2CC2(CC2)CC3=O)cc1.O=C1CC2(CC2)Cc2[nH]ncc21
InChIInChI=1S/C17H18N2O2.C9H10N2O/c1-21-13-4-2-12(3-5-13)11-19-15-8-17(6-7-17)9-16(20)14(15)10-18-19;12-8-4-9(1-2-9)3-7-6(8)5-10-11-7/h2-5,10H,6-9,11H2,1H3;5H,1-4H2,(H,10,11)
InChIKeyAPRICAJTRCZJSB-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.17
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one

1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one (PubChem CID 157190846) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one
PubChem CID157190846
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one
SMILESCOc1ccc(Cn2ncc3c2CC2(CC2)CC3=O)cc1.O=C1CC2(CC2)Cc2[nH]ncc21
InChIInChI=1S/C17H18N2O2.C9H10N2O/c1-21-13-4-2-12(3-5-13)11-19-15-8-17(6-7-17)9-16(20)14(15)10-18-19;12-8-4-9(1-2-9)3-7-6(8)5-10-11-7/h2-5,10H,6-9,11H2,1H3;5H,1-4H2,(H,10,11)
InChIKeyAPRICAJTRCZJSB-UHFFFAOYSA-N
XLogP4.17
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one with MolForge

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Related Compounds

3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indazol-4-one
CID 110458650
6-Benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816669
7-Benzyl-8-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816707
6-[(4-Methoxyphenyl)methyl]-8-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816710
8-(4-Methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816711
7-[(4-Methoxyphenyl)methyl]-8-phenyl-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816748
8-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-g][1,2]benzoxazole
CID 71816749
3-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
CID 156597819
2-(4-Methoxy-benzyl)-7-propyl-2,5,6,7-tetrahydro-indazol-4-one
CID 66666968
2-[(4-methoxyphenyl)methyl]-7-prop-2-enyl-6,7-dihydro-5H-indazol-4-one
CID 66667249
2-[(4-methoxyphenyl)methyl]-5-prop-2-enyl-6,7-dihydro-5H-indazol-4-one
CID 66667468
2-(4-Methoxy-benzyl)-5-propyl-2,5,6,7-tetrahydro-indazol-4-one
CID 66667689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one (CID 157190846) is 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one is COc1ccc(Cn2ncc3c2CC2(CC2)CC3=O)cc1.O=C1CC2(CC2)Cc2[nH]ncc21.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one?
The InChIKey is APRICAJTRCZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C9H10N2O/c1-21-13-4-2-12(3-5-13)11-19-15-8-17(6-7-17)9-16(20)14(15)10-18-19;12-8-4-9(1-2-9)3-7-6(8)5-10-11-7/h2-5,10H,6-9,11H2,1H3;5H,1-4H2,(H,10,11).
What are the key properties of 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one?
1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one has a molecular weight of 444.54 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]spiro[5,7-dihydroindazole-6,1'-cyclopropane]-4-one;spiro[5,7-dihydro-1H-indazole-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 157190846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).