[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

C18H24N4O2 — CID 118740909

IUPAC[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc(C2COC3(CCN(C(=O)c4cccn4C)CC3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)17(23)22-8-5-18(6-9-22)10-14(13-24-18)15-11-19-21(2)12-15/h3-4,7,11-12,14H,5-6,8-10,13H2,1-2H3
InChIKeySRWBDVGNDLQISL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.94
Rot. Bonds2

About [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 118740909) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID118740909
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc(C2COC3(CCN(C(=O)c4cccn4C)CC3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)17(23)22-8-5-18(6-9-22)10-14(13-24-18)15-11-19-21(2)12-15/h3-4,7,11-12,14H,5-6,8-10,13H2,1-2H3
InChIKeySRWBDVGNDLQISL-UHFFFAOYSA-N
XLogP1.94
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97384339
[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97397002
[1-Methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97405335
(2-methylpyrazol-3-yl)-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419873
[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 97421485
[(2S,3R)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97470297
[(2R,3R)-3-ethoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97470700
[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97470769
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97470971
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026
(2-Methylpyrazol-3-yl)-[2-(pyridin-3-ylmethyl)morpholin-4-yl]methanone
CID 102604310
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 118739388

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (CID 118740909) is [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cc(C2COC3(CCN(C(=O)c4cccn4C)CC3)C2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is SRWBDVGNDLQISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-7-3-4-16(20)17(23)22-8-5-18(6-9-22)10-14(13-24-18)15-11-19-21(2)12-15/h3-4,7,11-12,14H,5-6,8-10,13H2,1-2H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.94, 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]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 118740909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).