2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone

C24H23N5O4 — CID 159143737

IUPAC2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone
SMILESCc1cc(-c2nc(C(=O)Cc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1
InChIInChI=1S/C24H23N5O4/c1-14-10-16(4-5-25-14)23-26-18(13-32-23)19(30)11-17-12-20-22(27-21(17)15-2-3-15)28-24(33-20)29-6-8-31-9-7-29/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3
InChIKeyKIKOKJKMCBVTIF-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.72
Rot. Bonds6

About 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone

2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 159143737) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone
PubChem CID159143737
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone
SMILESCc1cc(-c2nc(C(=O)Cc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1
InChIInChI=1S/C24H23N5O4/c1-14-10-16(4-5-25-14)23-26-18(13-32-23)19(30)11-17-12-20-22(27-21(17)15-2-3-15)28-24(33-20)29-6-8-31-9-7-29/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3
InChIKeyKIKOKJKMCBVTIF-UHFFFAOYSA-N
XLogP3.72
TPSA107.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone (CID 159143737) is 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone is Cc1cc(-c2nc(C(=O)Cc3cc4oc(N5CCOCC5)nc4nc3C3CC3)co2)ccn1.
What is the InChIKey of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is KIKOKJKMCBVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-10-16(4-5-25-14)23-26-18(13-32-23)19(30)11-17-12-20-22(27-21(17)15-2-3-15)28-24(33-20)29-6-8-31-9-7-29/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3.
What are the key properties of 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone?
2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 445.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 159143737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).