1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone

C21H18N6O2 — CID 58546961

IUPAC1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H18N6O2/c1-29-15-8-13(9-22-10-15)18-19(24-7-6-23-18)14-11-27(12-14)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,14H,11-12H2,1H3,(H,25,26)
InChIKeyJEPSGYHOWQPRBL-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.66
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58546961) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58546961
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H18N6O2/c1-29-15-8-13(9-22-10-15)18-19(24-7-6-23-18)14-11-27(12-14)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,14H,11-12H2,1H3,(H,25,26)
InChIKeyJEPSGYHOWQPRBL-UHFFFAOYSA-N
XLogP2.66
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58546961) is 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone is COc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is JEPSGYHOWQPRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-29-15-8-13(9-22-10-15)18-19(24-7-6-23-18)14-11-27(12-14)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,14H,11-12H2,1H3,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58546961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).