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

C21H23N5O2 — CID 129315528

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cncc(-c3ccnc(-c4nc(C)c(C)[nH]4)c3)c2)C1
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(4-6-23-19)16-8-17(11-22-10-16)21(27)26-7-5-18(12-26)28-3/h4,6,8-11,18H,5,7,12H2,1-3H3,(H,24,25)
InChIKeyRZKKGFWCPZUQPM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.01
Rot. Bonds4

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

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 129315528) 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-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID129315528
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-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cncc(-c3ccnc(-c4nc(C)c(C)[nH]4)c3)c2)C1
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(4-6-23-19)16-8-17(11-22-10-16)21(27)26-7-5-18(12-26)28-3/h4,6,8-11,18H,5,7,12H2,1-3H3,(H,24,25)
InChIKeyRZKKGFWCPZUQPM-UHFFFAOYSA-N
XLogP3.01
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone (CID 129315528) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cncc(-c3ccnc(-c4nc(C)c(C)[nH]4)c3)c2)C1.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is RZKKGFWCPZUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-14(2)25-20(24-13)19-9-15(4-6-23-19)16-8-17(11-22-10-16)21(27)26-7-5-18(12-26)28-3/h4,6,8-11,18H,5,7,12H2,1-3H3,(H,24,25).
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 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-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 129315528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).