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

C22H27N5O2 — CID 57390432

IUPAC6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C22H27N5O2/c1-28-20-7-5-6-18(24-20)16-14-19-21(23-15-16)25-22(29-19)27-12-8-17(9-13-27)26-10-3-2-4-11-26/h5-7,14-15,17H,2-4,8-13H2,1H3
InChIKeyBEYMZVUPYAOIOB-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.75
Rot. Bonds4

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

6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 57390432) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID57390432
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1
InChIInChI=1S/C22H27N5O2/c1-28-20-7-5-6-18(24-20)16-14-19-21(23-15-16)25-22(29-19)27-12-8-17(9-13-27)26-10-3-2-4-11-26/h5-7,14-15,17H,2-4,8-13H2,1H3
InChIKeyBEYMZVUPYAOIOB-UHFFFAOYSA-N
XLogP3.75
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

CA-4948
CID 118224238
YM-201636
CID 9956222
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
1-(Oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one
CID 44389776
3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 4089406
N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-2-phenylacetamide
CID 712921
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 718610
N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)hexanamide
CID 3245177

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 57390432) is 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is COc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1.
What is the InChIKey of 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is BEYMZVUPYAOIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-28-20-7-5-6-18(24-20)16-14-19-21(23-15-16)25-22(29-19)27-12-8-17(9-13-27)26-10-3-2-4-11-26/h5-7,14-15,17H,2-4,8-13H2,1H3.
What are the key properties of 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine?
6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 393.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 57390432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).