2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

C24H26FN5O — CID 146585466

IUPAC2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5C[C@@H](C)N(C)[C@@H](C)C5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C24H26FN5O/c1-12-6-22-23(15(4)26-12)27-24(31-22)17-9-19(25)18-11-20(28-29-21(18)10-17)16-7-13(2)30(5)14(3)8-16/h6,9-11,13-14,16H,7-8H2,1-5H3/t13-,14+,16?
InChIKeyLHIXDMDXYQVVFL-MZBDJJRSSA-N
MW419.50 g/mol
LogP5.18
Rot. Bonds2

About 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 146585466) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID146585466
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5C[C@@H](C)N(C)[C@@H](C)C5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C24H26FN5O/c1-12-6-22-23(15(4)26-12)27-24(31-22)17-9-19(25)18-11-20(28-29-21(18)10-17)16-7-13(2)30(5)14(3)8-16/h6,9-11,13-14,16H,7-8H2,1-5H3/t13-,14+,16?
InChIKeyLHIXDMDXYQVVFL-MZBDJJRSSA-N
XLogP5.18
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (CID 146585466) is 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is Cc1cc2oc(-c3cc(F)c4cc(C5C[C@@H](C)N(C)[C@@H](C)C5)nnc4c3)nc2c(C)n1.
What is the InChIKey of 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is LHIXDMDXYQVVFL-MZBDJJRSSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-12-6-22-23(15(4)26-12)27-24(31-22)17-9-19(25)18-11-20(28-29-21(18)10-17)16-7-13(2)30(5)14(3)8-16/h6,9-11,13-14,16H,7-8H2,1-5H3/t13-,14+,16?.
What are the key properties of 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 419.50 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 146585466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).