6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole

C24H20N2O2 — CID 163259451

IUPAC6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole
SMILESC(#Cc1c(OCc2ccccc2)ccc2cn[nH]c12)COCc1ccccc1
InChIInChI=1S/C24H20N2O2/c1-3-8-19(9-4-1)17-27-15-7-12-22-23(14-13-21-16-25-26-24(21)22)28-18-20-10-5-2-6-11-20/h1-6,8-11,13-14,16H,15,17-18H2,(H,25,26)
InChIKeyYMNJMPREHMEBGM-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.71
Rot. Bonds6

About 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole

6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole (PubChem CID 163259451) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole.

Molecular Properties

Compound Name6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole
PubChem CID163259451
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole
SMILESC(#Cc1c(OCc2ccccc2)ccc2cn[nH]c12)COCc1ccccc1
InChIInChI=1S/C24H20N2O2/c1-3-8-19(9-4-1)17-27-15-7-12-22-23(14-13-21-16-25-26-24(21)22)28-18-20-10-5-2-6-11-20/h1-6,8-11,13-14,16H,15,17-18H2,(H,25,26)
InChIKeyYMNJMPREHMEBGM-UHFFFAOYSA-N
XLogP4.71
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylmethoxynaphthalen-1-yl)but-3-yn-1-ol
CID 61029666
4-(1H-indazol-6-yl)-2-phenylmethoxyphenol
CID 142654170
7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
5,7-difluoro-6-phenylmethoxy-1H-indazole
CID 163233496
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
4-(2-bromo-6-phenylmethoxyphenyl)but-3-yn-1-ol
CID 166771802
7-bromo-6-ethoxy-1H-indazole
CID 171662309
benzyl N-[4-(1H-indazol-7-yl)but-3-ynyl]carbamate
CID 170462677
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
(2R)-7-phenylmethoxyhept-5-yne-1,2,3-triol
CID 56646956
(4-phenylmethoxy-1H-indazol-6-yl)boronic acid
CID 155673029
8-phenylmethoxyoct-1-en-6-yne-3,5-diol
CID 10514573

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole?
The IUPAC name of 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole (CID 163259451) is 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole.
What is the SMILES notation for 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole?
The canonical SMILES for 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole is C(#Cc1c(OCc2ccccc2)ccc2cn[nH]c12)COCc1ccccc1.
What is the InChIKey of 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole?
The InChIKey is YMNJMPREHMEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-8-19(9-4-1)17-27-15-7-12-22-23(14-13-21-16-25-26-24(21)22)28-18-20-10-5-2-6-11-20/h1-6,8-11,13-14,16H,15,17-18H2,(H,25,26).
What are the key properties of 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole?
6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole has a molecular weight of 368.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-7-(3-phenylmethoxyprop-1-ynyl)-1H-indazole is sourced from PubChem (CID 163259451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).