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

C24H24N4O3 — CID 177374378

IUPAC4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)nc4)cc23)cc1OC
InChIInChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)20-15-27-24-19(20)11-18(14-26-24)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)
InChIKeyAHJNWODKVDLHDB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.15
Rot. Bonds5

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

4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine (PubChem CID 177374378) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine
PubChem CID177374378
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)nc4)cc23)cc1OC
InChIInChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)20-15-27-24-19(20)11-18(14-26-24)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)
InChIKeyAHJNWODKVDLHDB-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

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

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Related Compounds

N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
(E)-3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 155533282
AAK1-IN-21b
CID 138393295
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9842682
2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-ylamine
CID 10789231
5-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-1h-pyrrolo[2,3-b]pyridine
CID 11953179
4-(3-Methoxybenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 24993164
7-(1-(2-((2-methoxyethyl)(methyl)amino)ethyl)piperidin-4-yl)-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 44381445
7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-yl}-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 44381556
3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44413413

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine (CID 177374378) is 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine is COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCOCC5)nc4)cc23)cc1OC.
What is the InChIKey of 4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine?
The InChIKey is AHJNWODKVDLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-29-21-5-3-16(12-22(21)30-2)20-15-27-24-19(20)11-18(14-26-24)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-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine?
4-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-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-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 177374378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).