5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H23N5O2 — CID 118744406

IUPAC5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccccn1)CC2
InChIInChI=1S/C18H23N5O2/c1-14-18(6-9-22(10-7-18)16-5-3-4-8-19-16)25-13-17(24)23(14)15-11-20-21(2)12-15/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3
InChIKeyKNCWHIDIYIPGKC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.61
Rot. Bonds2

About 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118744406) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118744406
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccccn1)CC2
InChIInChI=1S/C18H23N5O2/c1-14-18(6-9-22(10-7-18)16-5-3-4-8-19-16)25-13-17(24)23(14)15-11-20-21(2)12-15/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3
InChIKeyKNCWHIDIYIPGKC-UHFFFAOYSA-N
XLogP1.61
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-(6-Methylpyridazin-3-yl)piperazin-1-yl)-2-((4-methylpyrimidin-2-yl)oxy)ethanone
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1-(1-Morpholin-4-ylpropan-2-yl)-3-(2-pyrazol-1-yl-3-pyridinyl)urea
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CID 53520513
(2-Morpholin-4-yl-3-pyridinyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561034
(6-Morpholin-4-yl-3-pyridinyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53562000
1-(4-(6-Methylpyridazin-3-yl)piperazin-1-yl)-2-(pyrimidin-2-yloxy)ethanone
CID 70703856
2-Methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
CID 97362309
2-Methoxy-1-[4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
CID 97362333
9-[(1-Methylimidazol-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385652

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118744406) is 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccccn1)CC2.
What is the InChIKey of 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KNCWHIDIYIPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-18(6-9-22(10-7-18)16-5-3-4-8-19-16)25-13-17(24)23(14)15-11-20-21(2)12-15/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3.
What are the key properties of 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrazol-4-yl)-9-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118744406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).