5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one

C18H25N5O — CID 176681895

IUPAC5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCn1ccc(-c2cc(=O)c(CN3CCNCC34CCCC4)c[nH]2)n1
InChIInChI=1S/C18H25N5O/c1-22-8-4-15(21-22)16-10-17(24)14(11-20-16)12-23-9-7-19-13-18(23)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3,(H,20,24)
InChIKeyAAYXLJSTCNQIEY-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds3

About 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one

5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one (PubChem CID 176681895) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one
PubChem CID176681895
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one
SMILESCn1ccc(-c2cc(=O)c(CN3CCNCC34CCCC4)c[nH]2)n1
InChIInChI=1S/C18H25N5O/c1-22-8-4-15(21-22)16-10-17(24)14(11-20-16)12-23-9-7-19-13-18(23)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3,(H,20,24)
InChIKeyAAYXLJSTCNQIEY-UHFFFAOYSA-N
XLogP1.49
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one
CID 176681620
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one;hydrochloride
CID 176681619
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933531
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681794
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64844438
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 119933495
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)chromen-4-one;hydrochloride
CID 176681696

Frequently Asked Questions

What is the IUPAC name of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one?
The IUPAC name of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one (CID 176681895) is 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one is Cn1ccc(-c2cc(=O)c(CN3CCNCC34CCCC4)c[nH]2)n1.
What is the InChIKey of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one?
The InChIKey is AAYXLJSTCNQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-8-4-15(21-22)16-10-17(24)14(11-20-16)12-23-9-7-19-13-18(23)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3,(H,20,24).
What are the key properties of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one?
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one has a molecular weight of 327.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 176681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).