7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

C21H18FN5O2 — CID 123653452

IUPAC7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5CC6CC5CN6)nc4oc3=O)cn2c1
InChIInChI=1S/C21H18FN5O2/c1-11-4-16(22)19-24-17(10-26(19)8-11)15-5-12-2-3-18(25-20(12)29-21(15)28)27-9-13-6-14(27)7-23-13/h2-5,8,10,13-14,23H,6-7,9H2,1H3
InChIKeyTZOZSDCIOVYTEM-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.50
Rot. Bonds2

About 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 123653452) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID123653452
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5CC6CC5CN6)nc4oc3=O)cn2c1
InChIInChI=1S/C21H18FN5O2/c1-11-4-16(22)19-24-17(10-26(19)8-11)15-5-12-2-3-18(25-20(12)29-21(15)28)27-9-13-6-14(27)7-23-13/h2-5,8,10,13-14,23H,6-7,9H2,1H3
InChIKeyTZOZSDCIOVYTEM-UHFFFAOYSA-N
XLogP2.50
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one with MolForge

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Related Compounds

(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 89671036
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408
3-(6-Methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622687
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 89654975
3-(6-Methylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89655987
3-(8-Ethyl-6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 89656968
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-propan-2-ylpiperazin-1-yl]chromen-2-one
CID 89657290
3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89657336
7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 118037587
3-(6-Ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 155548937
3-[2-[4-[[3-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]chromen-2-one
CID 13653921

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (CID 123653452) is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is Cc1cc(F)c2nc(-c3cc4ccc(N5CC6CC5CN6)nc4oc3=O)cn2c1.
What is the InChIKey of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is TZOZSDCIOVYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-11-4-16(22)19-24-17(10-26(19)8-11)15-5-12-2-3-18(25-20(12)29-21(15)28)27-9-13-6-14(27)7-23-13/h2-5,8,10,13-14,23H,6-7,9H2,1H3.
What are the key properties of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 391.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 123653452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).