6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine

C21H31N5O — CID 57392213

IUPAC6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESC[C@@H]1CCCN1c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1
InChIInChI=1S/C21H31N5O/c1-16-6-5-11-26(16)18-14-19-20(22-15-18)23-21(27-19)25-12-7-17(8-13-25)24-9-3-2-4-10-24/h14-17H,2-13H2,1H3/t16-/m1/s1
InChIKeyFIBCKBJLDCWYKE-MRXNPFEDSA-N
MW369.51 g/mol
LogP3.67
Rot. Bonds3

About 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine

6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57392213) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57392213
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESC[C@@H]1CCCN1c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1
InChIInChI=1S/C21H31N5O/c1-16-6-5-11-26(16)18-14-19-20(22-15-18)23-21(27-19)25-12-7-17(8-13-25)24-9-3-2-4-10-24/h14-17H,2-13H2,1H3/t16-/m1/s1
InChIKeyFIBCKBJLDCWYKE-MRXNPFEDSA-N
XLogP3.67
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57392213) is 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is C[C@@H]1CCCN1c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1.
What is the InChIKey of 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is FIBCKBJLDCWYKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-6-5-11-26(16)18-14-19-20(22-15-18)23-21(27-19)25-12-7-17(8-13-25)24-9-3-2-4-10-24/h14-17H,2-13H2,1H3/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 369.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylpyrrolidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).