2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine

C22H27N3O — CID 154639616

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
SMILESCc1cc(-c2[nH]c3ccc(C4CNCCO4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3O/c1-13(2)21-18-11-16(20-12-23-7-8-26-20)5-6-19(18)25-22(21)17-9-14(3)24-15(4)10-17/h5-6,9-11,13,20,23,25H,7-8,12H2,1-4H3
InChIKeyQPUXEMSYXRDXSX-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.63
Rot. Bonds3

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine (PubChem CID 154639616) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
PubChem CID154639616
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine
SMILESCc1cc(-c2[nH]c3ccc(C4CNCCO4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C22H27N3O/c1-13(2)21-18-11-16(20-12-23-7-8-26-20)5-6-19(18)25-22(21)17-9-14(3)24-15(4)10-17/h5-6,9-11,13,20,23,25H,7-8,12H2,1-4H3
InChIKeyQPUXEMSYXRDXSX-UHFFFAOYSA-N
XLogP4.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine (CID 154639616) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine is Cc1cc(-c2[nH]c3ccc(C4CNCCO4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine?
The InChIKey is QPUXEMSYXRDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-13(2)21-18-11-16(20-12-23-7-8-26-20)5-6-19(18)25-22(21)17-9-14(3)24-15(4)10-17/h5-6,9-11,13,20,23,25H,7-8,12H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]morpholine is sourced from PubChem (CID 154639616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).