9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane

C18H24N4O — CID 139003598

IUPAC9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESCn1cc(CN2CCOCC3(CCC3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O/c1-21-11-16(17(20-21)15-4-2-7-19-10-15)12-22-8-9-23-14-18(13-22)5-3-6-18/h2,4,7,10-11H,3,5-6,8-9,12-14H2,1H3
InChIKeyMMNFOXMSLOGHOI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.48
Rot. Bonds3

About 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane

9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane (PubChem CID 139003598) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
PubChem CID139003598
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESCn1cc(CN2CCOCC3(CCC3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O/c1-21-11-16(17(20-21)15-4-2-7-19-10-15)12-22-8-9-23-14-18(13-22)5-3-6-18/h2,4,7,10-11H,3,5-6,8-9,12-14H2,1H3
InChIKeyMMNFOXMSLOGHOI-UHFFFAOYSA-N
XLogP2.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908028
3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
CID 126834124
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880
2-methyl-2-[1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]piperidin-4-yl]propan-1-amine
CID 154785628
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770095
4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
CID 136573802
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
8-[[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-5-oxa-8-azaspiro[2.6]nonane
CID 154743738
3-ethylsulfonyl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155857687

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The IUPAC name of 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane (CID 139003598) is 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane.
What is the SMILES notation for 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The canonical SMILES for 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane is Cn1cc(CN2CCOCC3(CCC3)C2)c(-c2cccnc2)n1.
What is the InChIKey of 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The InChIKey is MMNFOXMSLOGHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-11-16(17(20-21)15-4-2-7-19-10-15)12-22-8-9-23-14-18(13-22)5-3-6-18/h2,4,7,10-11H,3,5-6,8-9,12-14H2,1H3.
What are the key properties of 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane has a molecular weight of 312.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane is sourced from PubChem (CID 139003598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).