8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C18H25N3O2 — CID 174347125

IUPAC8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c2[nH]ncc2c1CN1CCC2(CCCO2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-10-16(22-2)15(14-11-19-20-17(13)14)12-21-7-5-18(6-8-21)4-3-9-23-18/h10-11H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyDHIKJMLMKNXENU-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.02
Rot. Bonds3

About 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 174347125) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID174347125
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1cc(C)c2[nH]ncc2c1CN1CCC2(CCCO2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-10-16(22-2)15(14-11-19-20-17(13)14)12-21-7-5-18(6-8-21)4-3-9-23-18/h10-11H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyDHIKJMLMKNXENU-UHFFFAOYSA-N
XLogP3.02
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
9-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecane
CID 77084341
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
(7S)-8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-(4-methylsulfanylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 174347203
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135106659
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
(2,2,2-trifluoroacetyl) 4-[(5R,7S)-8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]benzoate
CID 167472433
4-[(5R,7S)-8-[[7-methyl-5-(trideuteriomethoxy)-1H-indol-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-7-yl]benzoic acid
CID 172515527
4-[3,5-dimethoxy-4-[(2-methylsulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020511
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 174347125) is 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is COc1cc(C)c2[nH]ncc2c1CN1CCC2(CCCO2)CC1.
What is the InChIKey of 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DHIKJMLMKNXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-16(22-2)15(14-11-19-20-17(13)14)12-21-7-5-18(6-8-21)4-3-9-23-18/h10-11H,3-9,12H2,1-2H3,(H,19,20).
What are the key properties of 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 315.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methoxy-7-methyl-1H-indazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 174347125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).