pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H22N4O3 — CID 97386036

IUPACpyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccnnc1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1
InChIInChI=1S/C19H22N4O3/c24-18(15-6-9-21-22-12-15)23-10-11-26-19(14-23)7-3-4-16(19)13-25-17-5-1-2-8-20-17/h1-2,5-6,8-9,12,16H,3-4,7,10-11,13-14H2/t16-,19-/m1/s1
InChIKeyWLIBTVVFEARNDK-VQIMIIECSA-N
MW354.41 g/mol
LogP1.96
Rot. Bonds4

About pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97386036) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97386036
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namepyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccnnc1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1
InChIInChI=1S/C19H22N4O3/c24-18(15-6-9-21-22-12-15)23-10-11-26-19(14-23)7-3-4-16(19)13-25-17-5-1-2-8-20-17/h1-2,5-6,8-9,12,16H,3-4,7,10-11,13-14H2/t16-,19-/m1/s1
InChIKeyWLIBTVVFEARNDK-VQIMIIECSA-N
XLogP1.96
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridazin-4-yl-[(4S,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451918
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656
pyridin-3-yl-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155861245
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 131640418
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124807188
furan-3-yl-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155834353
furan-3-yl-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824799
(5-methyl-1,2-oxazol-3-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452476
(5-methyl-1,2-oxazol-4-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452469
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155863813
(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451780

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97386036) is pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1ccnnc1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1.
What is the InChIKey of pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is WLIBTVVFEARNDK-VQIMIIECSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(15-6-9-21-22-12-15)23-10-11-26-19(14-23)7-3-4-16(19)13-25-17-5-1-2-8-20-17/h1-2,5-6,8-9,12,16H,3-4,7,10-11,13-14H2/t16-,19-/m1/s1.
What are the key properties of pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97386036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).