(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine

C24H29FN2O2 — CID 147489994

IUPAC(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc([C@]2(CCN[C@H]3CCc4ccccc43)CCO[C@]3(CCOC3)C2)nc1
InChIInChI=1S/C24H29FN2O2/c25-19-6-8-22(27-15-19)23(10-14-29-24(16-23)11-13-28-17-24)9-12-26-21-7-5-18-3-1-2-4-20(18)21/h1-4,6,8,15,21,26H,5,7,9-14,16-17H2/t21-,23+,24+/m0/s1
InChIKeyFFICLAAKNDUZRP-QPTUXGOLSA-N
MW396.51 g/mol
LogP4.10
Rot. Bonds5

About (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine

(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 147489994) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID147489994
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc([C@]2(CCN[C@H]3CCc4ccccc43)CCO[C@]3(CCOC3)C2)nc1
InChIInChI=1S/C24H29FN2O2/c25-19-6-8-22(27-15-19)23(10-14-29-24(16-23)11-13-28-17-24)9-12-26-21-7-5-18-3-1-2-4-20(18)21/h1-4,6,8,15,21,26H,5,7,9-14,16-17H2/t21-,23+,24+/m0/s1
InChIKeyFFICLAAKNDUZRP-QPTUXGOLSA-N
XLogP4.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(R)-N-((5-Fluoropyridin-3-yl)methyl)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72695064
MOR agonist-1
CID 153027560
2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]-N-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylmethyl)ethanamine
CID 155054285
N-(pyridin-3-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314236
N-benzyl-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72712153
N-benzyl-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713191
N-benzyl-2-[(9S)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713193
US11124523, Example (+)-24
CID 148156296
US11124523, Example (+)-22
CID 148173955
US11124523, Example (+)-26
CID 148630676
US11124523, Example (+)-23
CID 153079202
N-[(3-chloro-4-fluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]ethanamine
CID 166625740

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine (CID 147489994) is (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine is Fc1ccc([C@]2(CCN[C@H]3CCc4ccccc43)CCO[C@]3(CCOC3)C2)nc1.
What is the InChIKey of (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FFICLAAKNDUZRP-QPTUXGOLSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-19-6-8-22(27-15-19)23(10-14-29-24(16-23)11-13-28-17-24)9-12-26-21-7-5-18-3-1-2-4-20(18)21/h1-4,6,8,15,21,26H,5,7,9-14,16-17H2/t21-,23+,24+/m0/s1.
What are the key properties of (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 396.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[(5S,9R)-9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 147489994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).