4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine

C24H24N4O3 — CID 59699813

IUPAC4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(N5CCOCC5)nc4)c3c2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)18-11-19-20(15-27-24(19)26-14-18)17-4-6-23(25-13-17)28-7-9-31-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,26,27)
InChIKeyJZFZMLBLQDHSTE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.15
Rot. Bonds5

About 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine

4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 59699813) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID59699813
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(N5CCOCC5)nc4)c3c2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)18-11-19-20(15-27-24(19)26-14-18)17-4-6-23(25-13-17)28-7-9-31-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,26,27)
InChIKeyJZFZMLBLQDHSTE-UHFFFAOYSA-N
XLogP4.15
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine (CID 59699813) is 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine is COc1ccc(-c2cnc3[nH]cc(-c4ccc(N5CCOCC5)nc4)c3c2)cc1OC.
What is the InChIKey of 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is JZFZMLBLQDHSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)18-11-19-20(15-27-24(19)26-14-18)17-4-6-23(25-13-17)28-7-9-31-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,26,27).
What are the key properties of 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 416.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 59699813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).