(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C20H32N4O3 — CID 97494089

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1
InChIInChI=1S/C20H32N4O3/c1-3-24-18(11-16(2)21-24)19(25)23-6-4-5-20(15-23)12-17(14-27-20)13-22-7-9-26-10-8-22/h11,17H,3-10,12-15H2,1-2H3/t17-,20+/m0/s1
InChIKeyDIIRRCXYPSXDGG-FXAWDEMLSA-N
MW376.50 g/mol
LogP1.55
Rot. Bonds4

About (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97494089) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97494089
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1
InChIInChI=1S/C20H32N4O3/c1-3-24-18(11-16(2)21-24)19(25)23-6-4-5-20(15-23)12-17(14-27-20)13-22-7-9-26-10-8-22/h11,17H,3-10,12-15H2,1-2H3/t17-,20+/m0/s1
InChIKeyDIIRRCXYPSXDGG-FXAWDEMLSA-N
XLogP1.55
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-4-yl)-[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072585
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5S)-3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97397330
(2-ethyl-5-methylpyrazol-3-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848133
[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131642214
[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97397213
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
pyridin-2-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134079023
(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119105
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131658890
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97494089) is (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CCn1nc(C)cc1C(=O)N1CCC[C@@]2(C[C@@H](CN3CCOCC3)CO2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is DIIRRCXYPSXDGG-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-24-18(11-16(2)21-24)19(25)23-6-4-5-20(15-23)12-17(14-27-20)13-22-7-9-26-10-8-22/h11,17H,3-10,12-15H2,1-2H3/t17-,20+/m0/s1.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97494089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).