[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

C24H20N4O2 — CID 172674392

IUPAC[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCOc1ncc(-c2ccc(C(=O)N3CC(c4ccccn4)C3)c3ccccc23)cn1
InChIInChI=1S/C24H20N4O2/c1-30-24-26-12-16(13-27-24)18-9-10-21(20-7-3-2-6-19(18)20)23(29)28-14-17(15-28)22-8-4-5-11-25-22/h2-13,17H,14-15H2,1H3
InChIKeyKJCUGTUDXQETSA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.94
Rot. Bonds4

About [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 172674392) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID172674392
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCOc1ncc(-c2ccc(C(=O)N3CC(c4ccccn4)C3)c3ccccc23)cn1
InChIInChI=1S/C24H20N4O2/c1-30-24-26-12-16(13-27-24)18-9-10-21(20-7-3-2-6-19(18)20)23(29)28-14-17(15-28)22-8-4-5-11-25-22/h2-13,17H,14-15H2,1H3
InChIKeyKJCUGTUDXQETSA-UHFFFAOYSA-N
XLogP3.94
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 172674392) is [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is COc1ncc(-c2ccc(C(=O)N3CC(c4ccccn4)C3)c3ccccc23)cn1.
What is the InChIKey of [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is KJCUGTUDXQETSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-24-26-12-16(13-27-24)18-9-10-21(20-7-3-2-6-19(18)20)23(29)28-14-17(15-28)22-8-4-5-11-25-22/h2-13,17H,14-15H2,1H3.
What are the key properties of [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 396.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 172674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).