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

C22H25N5O2 — CID 129315570

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4C[C@H](CO)[C@@H](C)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H25N5O2/c1-13-10-27(11-19(13)12-28)22(29)18-6-17(8-23-9-18)16-4-5-24-20(7-16)21-25-14(2)15(3)26-21/h4-9,13,19,28H,10-12H2,1-3H3,(H,25,26)/t13-,19+/m0/s1
InChIKeyLYFUVISOBKEUIP-ORAYPTAESA-N
MW391.48 g/mol
LogP2.85
Rot. Bonds4

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

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 129315570) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
PubChem CID129315570
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4C[C@H](CO)[C@@H](C)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H25N5O2/c1-13-10-27(11-19(13)12-28)22(29)18-6-17(8-23-9-18)16-4-5-24-20(7-16)21-25-14(2)15(3)26-21/h4-9,13,19,28H,10-12H2,1-3H3,(H,25,26)/t13-,19+/m0/s1
InChIKeyLYFUVISOBKEUIP-ORAYPTAESA-N
XLogP2.85
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
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]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone (CID 129315570) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4C[C@H](CO)[C@@H](C)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is LYFUVISOBKEUIP-ORAYPTAESA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-10-27(11-19(13)12-28)22(29)18-6-17(8-23-9-18)16-4-5-24-20(7-16)21-25-14(2)15(3)26-21/h4-9,13,19,28H,10-12H2,1-3H3,(H,25,26)/t13-,19+/m0/s1.
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.85, 4 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]-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 129315570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).