cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone

C26H26N2O4 — CID 90687634

IUPACcyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3cnn(C(=O)C4CC4)c3C2)c(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-30-22-12-11-20(23(31-2)24(22)32-3)26(19-7-5-4-6-8-19)14-13-18-16-27-28(21(18)15-26)25(29)17-9-10-17/h4-8,11-14,16-17H,9-10,15H2,1-3H3
InChIKeyPPDKGYWQRYGZRC-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.51
Rot. Bonds6

About cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone

cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone (PubChem CID 90687634) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone
PubChem CID90687634
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Namecyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3cnn(C(=O)C4CC4)c3C2)c(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-30-22-12-11-20(23(31-2)24(22)32-3)26(19-7-5-4-6-8-19)14-13-18-16-27-28(21(18)15-26)25(29)17-9-10-17/h4-8,11-14,16-17H,9-10,15H2,1-3H3
InChIKeyPPDKGYWQRYGZRC-UHFFFAOYSA-N
XLogP4.51
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91352994
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91306480
5,6-dimethoxy-2,2-diphenyl-3,9-dihydrocyclopenta[b]naphthalene
CID 175339751
2-methyl-1-(2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 79333952
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
3-hydroxy-2,6,7-trimethoxy-3-phenylisoindol-1-one
CID 141336383
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428
2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)cyclobutan-1-ol
CID 54414054
cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone (CID 90687634) is cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone is COc1ccc(C2(c3ccccc3)C=Cc3cnn(C(=O)C4CC4)c3C2)c(OC)c1OC.
What is the InChIKey of cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone?
The InChIKey is PPDKGYWQRYGZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-30-22-12-11-20(23(31-2)24(22)32-3)26(19-7-5-4-6-8-19)14-13-18-16-27-28(21(18)15-26)25(29)17-9-10-17/h4-8,11-14,16-17H,9-10,15H2,1-3H3.
What are the key properties of cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone?
cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone has a molecular weight of 430.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone is sourced from PubChem (CID 90687634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).