[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

C15H18N4O2 — CID 129353584

IUPAC[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](O)CC1
InChIInChI=1S/C15H18N4O2/c20-13-2-1-7-18(8-5-13)15(21)12-3-4-14(17-10-12)19-9-6-16-11-19/h3-4,6,9-11,13,20H,1-2,5,7-8H2/t13-/m1/s1
InChIKeyZZDLDHLVTZEAQG-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.25
Rot. Bonds2

About [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone

[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 129353584) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID129353584
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](O)CC1
InChIInChI=1S/C15H18N4O2/c20-13-2-1-7-18(8-5-13)15(21)12-3-4-14(17-10-12)19-9-6-16-11-19/h3-4,6,9-11,13,20H,1-2,5,7-8H2/t13-/m1/s1
InChIKeyZZDLDHLVTZEAQG-CYBMUJFWSA-N
XLogP1.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
(6-imidazol-1-yl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33018433
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 34345375
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 39975735
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 129353584) is [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](O)CC1.
What is the InChIKey of [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is ZZDLDHLVTZEAQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-13-2-1-7-18(8-5-13)15(21)12-3-4-14(17-10-12)19-9-6-16-11-19/h3-4,6,9-11,13,20H,1-2,5,7-8H2/t13-/m1/s1.
What are the key properties of [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone?
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 129353584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).