(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C18H22N4O3 — CID 97476687

IUPAC(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-11-14(9-20-21)17(23)22-7-3-5-18(13-22)8-16(12-24-18)25-15-4-2-6-19-10-15/h2,4,6,9-11,16H,3,5,7-8,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyDUXWGYQUCWHWAK-WMZOPIPTSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97476687) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97476687
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-11-14(9-20-21)17(23)22-7-3-5-18(13-22)8-16(12-24-18)25-15-4-2-6-19-10-15/h2,4,6,9-11,16H,3,5,7-8,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyDUXWGYQUCWHWAK-WMZOPIPTSA-N
XLogP1.66
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(1-methylpyrazol-4-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419987
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488964
(3S,5S)-N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97371636
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
(2-methylphenyl)-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 155866870
[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394437
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131659490
[(3S,5S)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489662

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97476687) is (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cn1cc(C(=O)N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is DUXWGYQUCWHWAK-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-11-14(9-20-21)17(23)22-7-3-5-18(13-22)8-16(12-24-18)25-15-4-2-6-19-10-15/h2,4,6,9-11,16H,3,5,7-8,12-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97476687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).