4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine

C23H22N4O2 — CID 146451991

IUPAC4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(N5CCOCC5)c4)cc3c2)c1
InChIInChI=1S/C23H22N4O2/c1-28-20-11-19(14-24-15-20)16-2-3-21-18(10-16)12-22(26-21)17-4-5-25-23(13-17)27-6-8-29-9-7-27/h2-5,10-15,26H,6-9H2,1H3
InChIKeyBDOKJUMNEWZZGW-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.14
Rot. Bonds4

About 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine

4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine (PubChem CID 146451991) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine
PubChem CID146451991
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(N5CCOCC5)c4)cc3c2)c1
InChIInChI=1S/C23H22N4O2/c1-28-20-11-19(14-24-15-20)16-2-3-21-18(10-16)12-22(26-21)17-4-5-25-23(13-17)27-6-8-29-9-7-27/h2-5,10-15,26H,6-9H2,1H3
InChIKeyBDOKJUMNEWZZGW-UHFFFAOYSA-N
XLogP4.14
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine (CID 146451991) is 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine is COc1cncc(-c2ccc3[nH]c(-c4ccnc(N5CCOCC5)c4)cc3c2)c1.
What is the InChIKey of 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine?
The InChIKey is BDOKJUMNEWZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-20-11-19(14-24-15-20)16-2-3-21-18(10-16)12-22(26-21)17-4-5-25-23(13-17)27-6-8-29-9-7-27/h2-5,10-15,26H,6-9H2,1H3.
What are the key properties of 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine?
4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine has a molecular weight of 386.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 146451991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).