3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole

C22H23ClN2O — CID 142721259

IUPAC3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
SMILESCC1=CCCc2cc(OCc3ccc4c(c3)c(Cl)nn4C(C)C)ccc21
InChIInChI=1S/C22H23ClN2O/c1-14(2)25-21-10-7-16(11-20(21)22(23)24-25)13-26-18-8-9-19-15(3)5-4-6-17(19)12-18/h5,7-12,14H,4,6,13H2,1-3H3
InChIKeyYUJVPFWUJSBANC-UHFFFAOYSA-N
MW366.89 g/mol
LogP6.20
Rot. Bonds4

About 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole

3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole (PubChem CID 142721259) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole.

Molecular Properties

Compound Name3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
PubChem CID142721259
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
SMILESCC1=CCCc2cc(OCc3ccc4c(c3)c(Cl)nn4C(C)C)ccc21
InChIInChI=1S/C22H23ClN2O/c1-14(2)25-21-10-7-16(11-20(21)22(23)24-25)13-26-18-8-9-19-15(3)5-4-6-17(19)12-18/h5,7-12,14H,4,6,13H2,1-3H3
InChIKeyYUJVPFWUJSBANC-UHFFFAOYSA-N
XLogP6.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 3-chloro-5-[(5-chloro-7,8-dihydro-6H-naphthalen-6-id-2-yl)oxymethyl]-1-propan-2-ylindazole
CID 175815987
3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole
CID 142721250
6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
CID 90356371
(3R)-1-[[1-chloro-6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 78322579
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
ethyl 1-[[1-chloro-6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]-3-fluoropiperidine-3-carboxylate
CID 90355970
3-chloro-5-[[4-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-7-yl]oxymethyl]-1-propan-2-ylindazole
CID 175952305
ethyl 2-[[6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalen-2-yl]methyl-methylamino]acetate
CID 90356253
1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
CID 174255619
2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
CID 175518808
ethyl 3-(chloromethyl)-1-[[7-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylate
CID 164580273
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole?
The IUPAC name of 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole (CID 142721259) is 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole.
What is the SMILES notation for 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole?
The canonical SMILES for 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole is CC1=CCCc2cc(OCc3ccc4c(c3)c(Cl)nn4C(C)C)ccc21.
What is the InChIKey of 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole?
The InChIKey is YUJVPFWUJSBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-14(2)25-21-10-7-16(11-20(21)22(23)24-25)13-26-18-8-9-19-15(3)5-4-6-17(19)12-18/h5,7-12,14H,4,6,13H2,1-3H3.
What are the key properties of 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole?
3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole has a molecular weight of 366.89 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole is sourced from PubChem (CID 142721259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).