9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane

C19H26N4O2 — CID 134071292

IUPAC9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC3(CC(OCc4cccnc4)CO3)C2)n1
InChIInChI=1S/C19H26N4O2/c1-22-9-5-17(21-22)12-23-8-3-6-19(15-23)10-18(14-25-19)24-13-16-4-2-7-20-11-16/h2,4-5,7,9,11,18H,3,6,8,10,12-15H2,1H3
InChIKeyXDQRWSCNWKUDLQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.16
Rot. Bonds5

About 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane

9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 134071292) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
PubChem CID134071292
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC3(CC(OCc4cccnc4)CO3)C2)n1
InChIInChI=1S/C19H26N4O2/c1-22-9-5-17(21-22)12-23-8-3-6-19(15-23)10-18(14-25-19)24-13-16-4-2-7-20-11-16/h2,4-5,7,9,11,18H,3,6,8,10,12-15H2,1H3
InChIKeyXDQRWSCNWKUDLQ-UHFFFAOYSA-N
XLogP2.16
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155838494
(3R,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419500
(3S,5S)-3-(pyridin-3-ylmethoxy)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419730
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(3S,5R)-7-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124520516
7-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 134073918
(3S,5S)-9-[(5-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155831618
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane (CID 134071292) is 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane is Cn1ccc(CN2CCCC3(CC(OCc4cccnc4)CO3)C2)n1.
What is the InChIKey of 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is XDQRWSCNWKUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-9-5-17(21-22)12-23-8-3-6-19(15-23)10-18(14-25-19)24-13-16-4-2-7-20-11-16/h2,4-5,7,9,11,18H,3,6,8,10,12-15H2,1H3.
What are the key properties of 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 342.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-3-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 134071292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).