(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C18H17N5O — CID 94616496

IUPAC(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C18H17N5O/c24-18(14-6-8-21-17(12-14)22-11-9-19-13-22)23-10-3-5-16(23)15-4-1-2-7-20-15/h1-2,4,6-9,11-13,16H,3,5,10H2/t16-/m0/s1
InChIKeyMZUIRBWZUKBVGZ-INIZCTEOSA-N
MW319.37 g/mol
LogP2.64
Rot. Bonds3

About (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 94616496) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID94616496
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C18H17N5O/c24-18(14-6-8-21-17(12-14)22-11-9-19-13-22)23-10-3-5-16(23)15-4-1-2-7-20-15/h1-2,4,6-9,11-13,16H,3,5,10H2/t16-/m0/s1
InChIKeyMZUIRBWZUKBVGZ-INIZCTEOSA-N
XLogP2.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
CID 119469483
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95580405
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281721
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 136566028
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 102555329
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 94616496) is (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccccn1.
What is the InChIKey of (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is MZUIRBWZUKBVGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(14-6-8-21-17(12-14)22-11-9-19-13-22)23-10-3-5-16(23)15-4-1-2-7-20-15/h1-2,4,6-9,11-13,16H,3,5,10H2/t16-/m0/s1.
What are the key properties of (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 319.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94616496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).