(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone

C20H21N5O4S — CID 165112481

IUPAC(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N1CCC(O)C1
InChIInChI=1S/C20H21N5O4S/c1-12-18(20(27)25-6-4-15(26)11-25)24-19(23-12)17-8-13(3-5-22-17)14-7-16(10-21-9-14)30(2,28)29/h3,5,7-10,15,26H,4,6,11H2,1-2H3,(H,23,24)
InChIKeyUAQBNTBJXHJSBH-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.45
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone (PubChem CID 165112481) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
PubChem CID165112481
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N1CCC(O)C1
InChIInChI=1S/C20H21N5O4S/c1-12-18(20(27)25-6-4-15(26)11-25)24-19(23-12)17-8-13(3-5-22-17)14-7-16(10-21-9-14)30(2,28)29/h3,5,7-10,15,26H,4,6,11H2,1-2H3,(H,23,24)
InChIKeyUAQBNTBJXHJSBH-UHFFFAOYSA-N
XLogP1.45
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 129315759
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
4-(5-methylsulfonyl-3-pyridinyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
CID 129315855
N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
CID 129315839
3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
CID 129315845
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 129315527
(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
(3-hydroxypyrrolidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 62918281
(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone
CID 144535011
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 129315443
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone (CID 165112481) is (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone is Cc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The InChIKey is UAQBNTBJXHJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-12-18(20(27)25-6-4-15(26)11-25)24-19(23-12)17-8-13(3-5-22-17)14-7-16(10-21-9-14)30(2,28)29/h3,5,7-10,15,26H,4,6,11H2,1-2H3,(H,23,24).
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone has a molecular weight of 427.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone is sourced from PubChem (CID 165112481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).