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

C22H25N5O2 — CID 129315559

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(CCO)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H25N5O2/c1-14-15(2)26-21(25-14)20-10-17(3-6-24-20)18-9-19(12-23-11-18)22(29)27-7-4-16(13-27)5-8-28/h3,6,9-12,16,28H,4-5,7-8,13H2,1-2H3,(H,25,26)
InChIKeyNISIMEQNWFBRKD-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.00
Rot. Bonds5

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

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 129315559) 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]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID129315559
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]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(CCO)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H25N5O2/c1-14-15(2)26-21(25-14)20-10-17(3-6-24-20)18-9-19(12-23-11-18)22(29)27-7-4-16(13-27)5-8-28/h3,6,9-12,16,28H,4-5,7-8,13H2,1-2H3,(H,25,26)
InChIKeyNISIMEQNWFBRKD-UHFFFAOYSA-N
XLogP3.00
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.00
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]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 129315559) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4CCC(CCO)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NISIMEQNWFBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-15(2)26-21(25-14)20-10-17(3-6-24-20)18-9-19(12-23-11-18)22(29)27-7-4-16(13-27)5-8-28/h3,6,9-12,16,28H,4-5,7-8,13H2,1-2H3,(H,25,26).
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.00, 5 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-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129315559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).