6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole

C21H26N2O3 — CID 135273826

IUPAC6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole
SMILESCc1cc2cnn(C3CCCCO3)c2cc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C21H26N2O3/c1-15-12-17-14-22-23(20-4-2-3-9-24-20)19(17)13-18(15)16-5-7-21(8-6-16)25-10-11-26-21/h5,12-14,20H,2-4,6-11H2,1H3
InChIKeyASIXGTJGUAQAJP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.35
Rot. Bonds2

About 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole

6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole (PubChem CID 135273826) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole
PubChem CID135273826
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole
SMILESCc1cc2cnn(C3CCCCO3)c2cc1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C21H26N2O3/c1-15-12-17-14-22-23(20-4-2-3-9-24-20)19(17)13-18(15)16-5-7-21(8-6-16)25-10-11-26-21/h5,12-14,20H,2-4,6-11H2,1H3
InChIKeyASIXGTJGUAQAJP-UHFFFAOYSA-N
XLogP4.35
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
CID 58135085
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486014
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxan-3-ol;4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxan-4-ol
CID 159112985
1-[(2S)-oxan-2-yl]indazole
CID 124562379
(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
CID 175149374

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole (CID 135273826) is 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole is Cc1cc2cnn(C3CCCCO3)c2cc1C1=CCC2(CC1)OCCO2.
What is the InChIKey of 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole?
The InChIKey is ASIXGTJGUAQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-12-17-14-22-23(20-4-2-3-9-24-20)19(17)13-18(15)16-5-7-21(8-6-16)25-10-11-26-21/h5,12-14,20H,2-4,6-11H2,1H3.
What are the key properties of 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole?
6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole has a molecular weight of 354.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 135273826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).