1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

C20H22N6O2 — CID 58547381

IUPAC1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC[C@@H](O)C2)C1
InChIInChI=1S/C20H22N6O2/c27-14-4-3-9-25(12-14)19-17(21-7-8-22-19)13-10-26(11-13)20(28)18-23-15-5-1-2-6-16(15)24-18/h1-2,5-8,13-14,27H,3-4,9-12H2,(H,23,24)/t14-/m1/s1
InChIKeyDRTCCKGPGLUQMX-CQSZACIVSA-N
MW378.44 g/mol
LogP1.55
Rot. Bonds3

About 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547381) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547381
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC[C@@H](O)C2)C1
InChIInChI=1S/C20H22N6O2/c27-14-4-3-9-25(12-14)19-17(21-7-8-22-19)13-10-26(11-13)20(28)18-23-15-5-1-2-6-16(15)24-18/h1-2,5-8,13-14,27H,3-4,9-12H2,(H,23,24)/t14-/m1/s1
InChIKeyDRTCCKGPGLUQMX-CQSZACIVSA-N
XLogP1.55
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547381) is 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC[C@@H](O)C2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is DRTCCKGPGLUQMX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-14-4-3-9-25(12-14)19-17(21-7-8-22-19)13-10-26(11-13)20(28)18-23-15-5-1-2-6-16(15)24-18/h1-2,5-8,13-14,27H,3-4,9-12H2,(H,23,24)/t14-/m1/s1.
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 378.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypiperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).