[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone

C19H24N4O2 — CID 118744898

IUPAC[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)cn1
InChIInChI=1S/C19H24N4O2/c1-14-3-4-15(10-20-14)18(24)23-7-5-19(6-8-23)9-16(13-25-19)17-11-21-22(2)12-17/h3-4,10-12,16H,5-9,13H2,1-2H3
InChIKeyGVBCXDOAYBVBRV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.30
Rot. Bonds2

About [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone

[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 118744898) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID118744898
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)cn1
InChIInChI=1S/C19H24N4O2/c1-14-3-4-15(10-20-14)18(24)23-7-5-19(6-8-23)9-16(13-25-19)17-11-21-22(2)12-17/h3-4,10-12,16H,5-9,13H2,1-2H3
InChIKeyGVBCXDOAYBVBRV-UHFFFAOYSA-N
XLogP2.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(3-Methylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 18105308
Ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 24979539
Ethyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 2997607
US10239838, Example 53
CID 121414034
4-[1-Phenyl-3-(pyridin-3-YL)pyrazole-4-carbonyl]morpholine
CID 2900910
N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47805355
1-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 53548485
1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56821126
N-(cyclopentylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71935564
[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 97392053
[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 97470722
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470973

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone (CID 118744898) is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is GVBCXDOAYBVBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-3-4-15(10-20-14)18(24)23-7-5-19(6-8-23)9-16(13-25-19)17-11-21-22(2)12-17/h3-4,10-12,16H,5-9,13H2,1-2H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 118744898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).