[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone

C21H23N5O2 — CID 129315609

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCCC(O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(5-6-23-19)16-8-17(11-22-10-16)21(28)26-7-3-4-18(27)12-26/h5-6,8-11,18,27H,3-4,7,12H2,1-2H3,(H,24,25)
InChIKeyXJFQZHMIBBGJMH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.75
Rot. Bonds3

About [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 129315609) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID129315609
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCCC(O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(5-6-23-19)16-8-17(11-22-10-16)21(28)26-7-3-4-18(27)12-26/h5-6,8-11,18,27H,3-4,7,12H2,1-2H3,(H,24,25)
InChIKeyXJFQZHMIBBGJMH-UHFFFAOYSA-N
XLogP2.75
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone (CID 129315609) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4CCCC(O)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is XJFQZHMIBBGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(5-6-23-19)16-8-17(11-22-10-16)21(28)26-7-3-4-18(27)12-26/h5-6,8-11,18,27H,3-4,7,12H2,1-2H3,(H,24,25).
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 129315609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).