1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone

C22H22N4O2 — CID 122569399

IUPAC1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C(=O)N3CC(n4nc(C)cc4C)C3)c2)nc1
InChIInChI=1S/C22H22N4O2/c1-14-9-15(2)26(24-14)20-12-25(13-20)22(28)18-6-4-5-17(10-18)21-8-7-19(11-23-21)16(3)27/h4-11,20H,12-13H2,1-3H3
InChIKeyYYACEUSWQXGICT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.46
Rot. Bonds4

About 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone

1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone (PubChem CID 122569399) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone
PubChem CID122569399
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C(=O)N3CC(n4nc(C)cc4C)C3)c2)nc1
InChIInChI=1S/C22H22N4O2/c1-14-9-15(2)26(24-14)20-12-25(13-20)22(28)18-6-4-5-17(10-18)21-8-7-19(11-23-21)16(3)27/h4-11,20H,12-13H2,1-3H3
InChIKeyYYACEUSWQXGICT-UHFFFAOYSA-N
XLogP3.46
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone
CID 122560476
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
CID 91788675
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone
CID 122561645
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
[6-(cyclopropylamino)-3-pyridinyl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95344948
2-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]phenyl]acetonitrile
CID 95606726
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-[3-(5-hydroxy-2-pyridinyl)phenyl]methanone
CID 122557992
6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 134699696

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone (CID 122569399) is 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2cccc(C(=O)N3CC(n4nc(C)cc4C)C3)c2)nc1.
What is the InChIKey of 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone?
The InChIKey is YYACEUSWQXGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-9-15(2)26(24-14)20-12-25(13-20)22(28)18-6-4-5-17(10-18)21-8-7-19(11-23-21)16(3)27/h4-11,20H,12-13H2,1-3H3.
What are the key properties of 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone?
1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 122569399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).