4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine

C20H21FN4O — CID 139309113

IUPAC4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
SMILESFc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3
InChIInChI=1S/C20H21FN4O/c21-14-1-3-16-17-13-25(6-5-18(17)23-19(16)11-14)15-2-4-20(22-12-15)24-7-9-26-10-8-24/h1-4,11-12,23H,5-10,13H2
InChIKeyKMARVRWKJVVEAH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.10
Rot. Bonds2

About 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine

4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine (PubChem CID 139309113) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
PubChem CID139309113
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
SMILESFc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3
InChIInChI=1S/C20H21FN4O/c21-14-1-3-16-17-13-25(6-5-18(17)23-19(16)11-14)15-2-4-20(22-12-15)24-7-9-26-10-8-24/h1-4,11-12,23H,5-10,13H2
InChIKeyKMARVRWKJVVEAH-UHFFFAOYSA-N
XLogP3.10
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine (CID 139309113) is 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine is Fc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nc1)C3.
What is the InChIKey of 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?
The InChIKey is KMARVRWKJVVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-14-1-3-16-17-13-25(6-5-18(17)23-19(16)11-14)15-2-4-20(22-12-15)24-7-9-26-10-8-24/h1-4,11-12,23H,5-10,13H2.
What are the key properties of 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?
4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine has a molecular weight of 352.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 139309113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).