cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone

C22H25N5O2 — CID 121018196

IUPACcyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)CC1
InChIInChI=1S/C22H25N5O2/c28-21(17-6-7-17)25-8-10-26(11-9-25)22(29)18-13-27(14-18)20-12-19(23-15-24-20)16-4-2-1-3-5-16/h1-5,12,15,17-18H,6-11,13-14H2
InChIKeyBKXMGZVLRKNSRL-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.66
Rot. Bonds4

About cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 121018196) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID121018196
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Namecyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)CC1
InChIInChI=1S/C22H25N5O2/c28-21(17-6-7-17)25-8-10-26(11-9-25)22(29)18-13-27(14-18)20-12-19(23-15-24-20)16-4-2-1-3-5-16/h1-5,12,15,17-18H,6-11,13-14H2
InChIKeyBKXMGZVLRKNSRL-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone (CID 121018196) is cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(C(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is BKXMGZVLRKNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21(17-6-7-17)25-8-10-26(11-9-25)22(29)18-13-27(14-18)20-12-19(23-15-24-20)16-4-2-1-3-5-16/h1-5,12,15,17-18H,6-11,13-14H2.
What are the key properties of cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 121018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).