7-[(1S,4S)-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 118130170

IUPAC7-[(1S,4S)-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(N5C[C@@H]6C[C@H]5CN6)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/t13-,14-/m0/s1
InChIKeyTZOZSDCIOVYTEM-KBPBESRZSA-N
MW391.41 g/mol
LogP2.50
Rot. Bonds2

About 7-[(1S,4S)-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-[(1S,4S)-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 118130170) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 7-[(1S,4S)-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-[(1S,4S)-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 CID118130170
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name7-[(1S,4S)-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(N5C[C@@H]6C[C@H]5CN6)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/t13-,14-/m0/s1
InChIKeyTZOZSDCIOVYTEM-KBPBESRZSA-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-[(1S,4S)-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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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,4S)-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-[(1S,4S)-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 118130170) is 7-[(1S,4S)-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-[(1S,4S)-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-[(1S,4S)-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(N5C[C@@H]6C[C@H]5CN6)nc4oc3=O)cn2c1.
What is the InChIKey of 7-[(1S,4S)-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-KBPBESRZSA-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/t13-,14-/m0/s1.
What are the key properties of 7-[(1S,4S)-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-[(1S,4S)-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-[(1S,4S)-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 118130170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).