[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C19H22N6O — CID 124972028

IUPAC[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1
InChIInChI=1S/C19H22N6O/c1-14-12-23(2)18(22-14)16-5-3-9-24(13-16)19(26)15-6-7-17(20-11-15)25-10-4-8-21-25/h4,6-8,10-12,16H,3,5,9,13H2,1-2H3/t16-/m0/s1
InChIKeyKAHRZFPMCVAOTI-INIZCTEOSA-N
MW350.43 g/mol
LogP2.33
Rot. Bonds3

About [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 124972028) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID124972028
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1
InChIInChI=1S/C19H22N6O/c1-14-12-23(2)18(22-14)16-5-3-9-24(13-16)19(26)15-6-7-17(20-11-15)25-10-4-8-21-25/h4,6-8,10-12,16H,3,5,9,13H2,1-2H3/t16-/m0/s1
InChIKeyKAHRZFPMCVAOTI-INIZCTEOSA-N
XLogP2.33
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125010503
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089
3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 124972028) is [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1.
What is the InChIKey of [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is KAHRZFPMCVAOTI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-12-23(2)18(22-14)16-5-3-9-24(13-16)19(26)15-6-7-17(20-11-15)25-10-4-8-21-25/h4,6-8,10-12,16H,3,5,9,13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124972028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).