2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

C23H24FN5O — CID 146585405

IUPAC2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCCN1CCC(c2cc3c(F)cc(-c4nc5c(C)nc(C)cc5o4)cc3nn2)CC1
InChIInChI=1S/C23H24FN5O/c1-4-29-7-5-15(6-8-29)19-12-17-18(24)10-16(11-20(17)28-27-19)23-26-22-14(3)25-13(2)9-21(22)30-23/h9-12,15H,4-8H2,1-3H3
InChIKeyKWNPBUSNSGGKSF-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.79
Rot. Bonds3

About 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 146585405) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID146585405
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCCN1CCC(c2cc3c(F)cc(-c4nc5c(C)nc(C)cc5o4)cc3nn2)CC1
InChIInChI=1S/C23H24FN5O/c1-4-29-7-5-15(6-8-29)19-12-17-18(24)10-16(11-20(17)28-27-19)23-26-22-14(3)25-13(2)9-21(22)30-23/h9-12,15H,4-8H2,1-3H3
InChIKeyKWNPBUSNSGGKSF-UHFFFAOYSA-N
XLogP4.79
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (CID 146585405) is 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is CCN1CCC(c2cc3c(F)cc(-c4nc5c(C)nc(C)cc5o4)cc3nn2)CC1.
What is the InChIKey of 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is KWNPBUSNSGGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-4-29-7-5-15(6-8-29)19-12-17-18(24)10-16(11-20(17)28-27-19)23-26-22-14(3)25-13(2)9-21(22)30-23/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 405.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpiperidin-4-yl)-5-fluorocinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 146585405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).