8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H25FN4O2 — CID 10001491

IUPAC8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1
InChIInChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2
InChIKeyIACYSTWKDNTUMD-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.73
Rot. Bonds5

About 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10001491) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10001491
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1
InChIInChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2
InChIKeyIACYSTWKDNTUMD-UHFFFAOYSA-N
XLogP3.73
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gevotroline
CID 60547
Gevotroline Hydrochloride
CID 60546
Carvotroline Hydrochloride
CID 72037
Carvotroline
CID 72038
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10432325
N-(2-(1H-indol-3-yl)ethyl)-4-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-4-oxobutanamide
CID 44418437
N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-4-oxobutanamide
CID 44418438
3-benzyl-8-(2-(5-fluoro-1H-indol-3-yl)ethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one
CID 9887650
4-ethyl-8-[2-(1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016625
9-[2-(3-Indolyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537368
8-Fluoro-2-(3-pyridin-4-yl-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44344745
3-benzoyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 9979586

Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10001491) is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1.
What is the InChIKey of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IACYSTWKDNTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2.
What are the key properties of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 408.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10001491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).