furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H23N3O2 — CID 3235407

IUPACfuran-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C19H23N3O2/c23-18(17-3-1-12-24-17)22-10-2-6-19(15-22)7-11-21(14-19)13-16-4-8-20-9-5-16/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2/t19-/m0/s1
InChIKeyGSBUXFFRWLWPAU-IBGZPJMESA-N
MW325.41 g/mol
LogP2.80
Rot. Bonds3

About furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235407) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235407
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namefuran-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C19H23N3O2/c23-18(17-3-1-12-24-17)22-10-2-6-19(15-22)7-11-21(14-19)13-16-4-8-20-9-5-16/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2/t19-/m0/s1
InChIKeyGSBUXFFRWLWPAU-IBGZPJMESA-N
XLogP2.80
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235407) is furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1.
What is the InChIKey of furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is GSBUXFFRWLWPAU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(17-3-1-12-24-17)22-10-2-6-19(15-22)7-11-21(14-19)13-16-4-8-20-9-5-16/h1,3-5,8-9,12H,2,6-7,10-11,13-15H2/t19-/m0/s1.
What are the key properties of furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).