[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C20H29N5O3 — CID 131654289

IUPAC[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCOCCN(C)CC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C20H29N5O3/c1-23(9-10-27-2)13-16-11-20(28-14-16)5-3-7-24(15-20)19(26)17-12-22-25-8-4-6-21-18(17)25/h4,6,8,12,16H,3,5,7,9-11,13-15H2,1-2H3
InChIKeyHZECPUCVZXEAHG-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.32
Rot. Bonds6

About [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 131654289) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID131654289
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCOCCN(C)CC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1
InChIInChI=1S/C20H29N5O3/c1-23(9-10-27-2)13-16-11-20(28-14-16)5-3-7-24(15-20)19(26)17-12-22-25-8-4-6-21-18(17)25/h4,6,8,12,16H,3,5,7,9-11,13-15H2,1-2H3
InChIKeyHZECPUCVZXEAHG-UHFFFAOYSA-N
XLogP1.32
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414442
3-[1-({6-[(Diethylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}carbonyl)piperidin-3-yl]propan-1-ol
CID 56752036
N-ethyl-N-[(3-{[3-(methoxymethyl)piperidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56752913
6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95207597
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 95212994
(5S,7R)-10-fluoro-16,16-dimethyl-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353861
(5S,7R)-10-fluoro-14-oxa-2,12,18,22,23,26-hexazahexacyclo[18.5.2.02,7.05,7.08,13.023,27]heptacosa-1(26),10,12,20(27),21,24-hexaen-19-one
CID 156353871
(5S,7R,12R)-9-[(E)-2-fluoroprop-1-enyl]imino-12-methyl-8-methylidene-10-oxa-2,13,17,18,21-pentazapentacyclo[13.5.2.02,7.05,7.018,22]docosa-1(21),15(22),16,19-tetraen-14-one
CID 156353882
(5S,7R)-12-fluoro-9-[(E)-2-fluoroprop-1-enyl]imino-8-methylidene-10-oxa-2,13,17,18,21-pentazapentacyclo[13.5.2.02,7.05,7.018,22]docosa-1(21),15(22),16,19-tetraen-14-one
CID 156353925
N-ethyl-N-[(3-{[4-(1H-pyrazol-1-ylmethyl)piperidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56740869
[3-(Morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155851758
[3-[[2-Methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155857254

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 131654289) is [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is COCCN(C)CC1COC2(CCCN(C(=O)c3cnn4cccnc34)C2)C1.
What is the InChIKey of [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is HZECPUCVZXEAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-23(9-10-27-2)13-16-11-20(28-14-16)5-3-7-24(15-20)19(26)17-12-22-25-8-4-6-21-18(17)25/h4,6,8,12,16H,3,5,7,9-11,13-15H2,1-2H3.
What are the key properties of [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 387.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 131654289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).