1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C23H24N6O — CID 58547168

IUPAC1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCOc1ccc2nc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)ccc2c1
InChIInChI=1S/C23H24N6O/c1-30-19-3-4-20-17(12-19)2-5-21(27-20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-16(13-24)7-11-28/h2-5,8-9,12,16,18H,6-7,10-11,14-15H2,1H3
InChIKeyRWDIBKRVHKQTJJ-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.38
Rot. Bonds4

About 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547168) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547168
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCOc1ccc2nc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)ccc2c1
InChIInChI=1S/C23H24N6O/c1-30-19-3-4-20-17(12-19)2-5-21(27-20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-16(13-24)7-11-28/h2-5,8-9,12,16,18H,6-7,10-11,14-15H2,1H3
InChIKeyRWDIBKRVHKQTJJ-UHFFFAOYSA-N
XLogP3.38
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547168) is 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is COc1ccc2nc(N3CC(c4nccnc4N4CCC(C#N)CC4)C3)ccc2c1.
What is the InChIKey of 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is RWDIBKRVHKQTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-19-3-4-20-17(12-19)2-5-21(27-20)29-14-18(15-29)22-23(26-9-8-25-22)28-10-6-16(13-24)7-11-28/h2-5,8-9,12,16,18H,6-7,10-11,14-15H2,1H3.
What are the key properties of 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(6-methoxyquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).