4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine

C20H27N3O — CID 20551411

IUPAC4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine
SMILESCN1Cc2c(cc(CN3CCOCC3)n2C)C(c2ccccc2)C1
InChIInChI=1S/C20H27N3O/c1-21-14-19(16-6-4-3-5-7-16)18-12-17(22(2)20(18)15-21)13-23-8-10-24-11-9-23/h3-7,12,19H,8-11,13-15H2,1-2H3
InChIKeyIPIUZDBKNJESNW-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.43
Rot. Bonds3

About 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine

4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine (PubChem CID 20551411) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine
PubChem CID20551411
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine
SMILESCN1Cc2c(cc(CN3CCOCC3)n2C)C(c2ccccc2)C1
InChIInChI=1S/C20H27N3O/c1-21-14-19(16-6-4-3-5-7-16)18-12-17(22(2)20(18)15-21)13-23-8-10-24-11-9-23/h3-7,12,19H,8-11,13-15H2,1-2H3
InChIKeyIPIUZDBKNJESNW-UHFFFAOYSA-N
XLogP2.43
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine (CID 20551411) is 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine is CN1Cc2c(cc(CN3CCOCC3)n2C)C(c2ccccc2)C1.
What is the InChIKey of 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine?
The InChIKey is IPIUZDBKNJESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-21-14-19(16-6-4-3-5-7-16)18-12-17(22(2)20(18)15-21)13-23-8-10-24-11-9-23/h3-7,12,19H,8-11,13-15H2,1-2H3.
What are the key properties of 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine?
4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine has a molecular weight of 325.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine is sourced from PubChem (CID 20551411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).