4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine

C22H23N5O2 — CID 139406181

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C22H23N5O2/c1-13-12-28-9-8-27(13)20-11-16(21-14(2)26-29-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24)
InChIKeyQXWAFDUOGIIGGV-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.12
Rot. Bonds3

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 139406181) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
PubChem CID139406181
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C22H23N5O2/c1-13-12-28-9-8-27(13)20-11-16(21-14(2)26-29-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24)
InChIKeyQXWAFDUOGIIGGV-UHFFFAOYSA-N
XLogP4.12
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine (CID 139406181) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine is Cc1noc(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2C)c1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is QXWAFDUOGIIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-12-28-9-8-27(13)20-11-16(21-14(2)26-29-15(21)3)10-19(25-20)17-4-6-23-22-18(17)5-7-24-22/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,24).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 389.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 139406181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).