[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

C19H24N4O3 — CID 97450643

IUPAC[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
SMILESCN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1
InChIInChI=1S/C19H24N4O3/c1-22(13-17-3-2-10-25-17)16-11-19(26-14-16)5-8-23(9-6-19)18(24)15-4-7-20-21-12-15/h2-4,7,10,12,16H,5-6,8-9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyWHGCJHKSAQFBOZ-INIZCTEOSA-N
MW356.43 g/mol
LogP1.97
Rot. Bonds4

About [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (PubChem CID 97450643) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
PubChem CID97450643
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
SMILESCN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1
InChIInChI=1S/C19H24N4O3/c1-22(13-17-3-2-10-25-17)16-11-19(26-14-16)5-8-23(9-6-19)18(24)15-4-7-20-21-12-15/h2-4,7,10,12,16H,5-6,8-9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyWHGCJHKSAQFBOZ-INIZCTEOSA-N
XLogP1.97
TPSA71.70 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847839
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371394
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone (CID 97450643) is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccnnc3)CC2)C1.
What is the InChIKey of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
The InChIKey is WHGCJHKSAQFBOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(13-17-3-2-10-25-17)16-11-19(26-14-16)5-8-23(9-6-19)18(24)15-4-7-20-21-12-15/h2-4,7,10,12,16H,5-6,8-9,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone?
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).