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

C19H24N4O3 — CID 131659490

IUPAC(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(OCc2cccnc2)CO3)cn1
InChIInChI=1S/C19H24N4O3/c1-22-12-16(11-21-22)18(24)23-7-4-19(5-8-23)9-17(14-26-19)25-13-15-3-2-6-20-10-15/h2-3,6,10-12,17H,4-5,7-9,13-14H2,1H3
InChIKeyJFFLADLKYFJFTP-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.80
Rot. Bonds4

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

(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 131659490) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID131659490
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(OCc2cccnc2)CO3)cn1
InChIInChI=1S/C19H24N4O3/c1-22-12-16(11-21-22)18(24)23-7-4-19(5-8-23)9-17(14-26-19)25-13-15-3-2-6-20-10-15/h2-3,6,10-12,17H,4-5,7-9,13-14H2,1H3
InChIKeyJFFLADLKYFJFTP-UHFFFAOYSA-N
XLogP1.80
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131662155
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
(1-methylpyrazol-4-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419987
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97476687
1-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131697114
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(1-methylpyrazol-4-yl)-[(3R,5S)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155846599
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 131659490) is (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1cc(C(=O)N2CCC3(CC2)CC(OCc2cccnc2)CO3)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is JFFLADLKYFJFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-12-16(11-21-22)18(24)23-7-4-19(5-8-23)9-17(14-26-19)25-13-15-3-2-6-20-10-15/h2-3,6,10-12,17H,4-5,7-9,13-14H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131659490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).