2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol

C23H24FN5O2 — CID 146585385

IUPAC2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C23H24FN5O2/c1-13-9-21-22(14(2)25-13)26-23(31-21)16-10-18(24)17-12-19(27-28-20(17)11-16)15-3-5-29(6-4-15)7-8-30/h9-12,15,30H,3-8H2,1-2H3
InChIKeyNTUNHAMSQBQUKG-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.76
Rot. Bonds4

About 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol

2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol (PubChem CID 146585385) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol
PubChem CID146585385
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C23H24FN5O2/c1-13-9-21-22(14(2)25-13)26-23(31-21)16-10-18(24)17-12-19(27-28-20(17)11-16)15-3-5-29(6-4-15)7-8-30/h9-12,15,30H,3-8H2,1-2H3
InChIKeyNTUNHAMSQBQUKG-UHFFFAOYSA-N
XLogP3.76
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol (CID 146585385) is 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol is Cc1cc2oc(-c3cc(F)c4cc(C5CCN(CCO)CC5)nnc4c3)nc2c(C)n1.
What is the InChIKey of 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is NTUNHAMSQBQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-13-9-21-22(14(2)25-13)26-23(31-21)16-10-18(24)17-12-19(27-28-20(17)11-16)15-3-5-29(6-4-15)7-8-30/h9-12,15,30H,3-8H2,1-2H3.
What are the key properties of 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol?
2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 421.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-fluorocinnolin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 146585385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).