1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone

C19H17N7O — CID 58547021

IUPAC1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCn1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C19H17N7O/c1-25-9-12(8-22-25)16-17(21-7-6-20-16)13-10-26(11-13)19(27)18-23-14-4-2-3-5-15(14)24-18/h2-9,13H,10-11H2,1H3,(H,23,24)
InChIKeyKCOXTURSOJZMBU-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.99
Rot. Bonds3

About 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547021) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547021
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCn1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C19H17N7O/c1-25-9-12(8-22-25)16-17(21-7-6-20-16)13-10-26(11-13)19(27)18-23-14-4-2-3-5-15(14)24-18/h2-9,13H,10-11H2,1H3,(H,23,24)
InChIKeyKCOXTURSOJZMBU-UHFFFAOYSA-N
XLogP1.99
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.99
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-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547021) is 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone is Cn1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cn1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is KCOXTURSOJZMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-25-9-12(8-22-25)16-17(21-7-6-20-16)13-10-26(11-13)19(27)18-23-14-4-2-3-5-15(14)24-18/h2-9,13H,10-11H2,1H3,(H,23,24).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 359.39 g/mol, XLogP of 1.99, 3 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-(1-methylpyrazol-4-yl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).