7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol

C25H27FN4O2 — CID 146228527

IUPAC7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol
SMILESCc1cc(F)c2nc(C3=Cc4ccc(N5CCNC6(CCCC6)C5)cc4OC3O)cn2c1
InChIInChI=1S/C25H27FN4O2/c1-16-10-20(26)23-28-21(14-30(23)13-16)19-11-17-4-5-18(12-22(17)32-24(19)31)29-9-8-27-25(15-29)6-2-3-7-25/h4-5,10-14,24,27,31H,2-3,6-9,15H2,1H3
InChIKeyOUIZXXDLNBSTCB-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.76
Rot. Bonds2

About 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol

7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol (PubChem CID 146228527) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol.

Molecular Properties

Compound Name7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol
PubChem CID146228527
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol
SMILESCc1cc(F)c2nc(C3=Cc4ccc(N5CCNC6(CCCC6)C5)cc4OC3O)cn2c1
InChIInChI=1S/C25H27FN4O2/c1-16-10-20(26)23-28-21(14-30(23)13-16)19-11-17-4-5-18(12-22(17)32-24(19)31)29-9-8-27-25(15-29)6-2-3-7-25/h4-5,10-14,24,27,31H,2-3,6-9,15H2,1H3
InChIKeyOUIZXXDLNBSTCB-UHFFFAOYSA-N
XLogP3.76
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol?
The IUPAC name of 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol (CID 146228527) is 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol.
What is the SMILES notation for 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol?
The canonical SMILES for 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol is Cc1cc(F)c2nc(C3=Cc4ccc(N5CCNC6(CCCC6)C5)cc4OC3O)cn2c1.
What is the InChIKey of 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol?
The InChIKey is OUIZXXDLNBSTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-16-10-20(26)23-28-21(14-30(23)13-16)19-11-17-4-5-18(12-22(17)32-24(19)31)29-9-8-27-25(15-29)6-2-3-7-25/h4-5,10-14,24,27,31H,2-3,6-9,15H2,1H3.
What are the key properties of 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol?
7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol has a molecular weight of 434.52 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol is sourced from PubChem (CID 146228527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).