1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one

C22H21FN4O3 — CID 121156027

IUPAC1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C22H21FN4O3/c1-13-8-17(9-21(28)27(13)16-6-7-16)30-18-11-26(12-18)22(29)20-10-19(24-25-20)14-2-4-15(23)5-3-14/h2-5,8-10,16,18H,6-7,11-12H2,1H3,(H,24,25)
InChIKeyKGHIPRNGWDVZOH-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.92
Rot. Bonds5

About 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121156027) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121156027
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C22H21FN4O3/c1-13-8-17(9-21(28)27(13)16-6-7-16)30-18-11-26(12-18)22(29)20-10-19(24-25-20)14-2-4-15(23)5-3-14/h2-5,8-10,16,18H,6-7,11-12H2,1H3,(H,24,25)
InChIKeyKGHIPRNGWDVZOH-UHFFFAOYSA-N
XLogP2.92
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155625
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
CID 126851385
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
6-methyl-4-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxypyran-2-one
CID 86265508
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 91919425

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121156027) is 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(OC2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is KGHIPRNGWDVZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-13-8-17(9-21(28)27(13)16-6-7-16)30-18-11-26(12-18)22(29)20-10-19(24-25-20)14-2-4-15(23)5-3-14/h2-5,8-10,16,18H,6-7,11-12H2,1H3,(H,24,25).
What are the key properties of 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 408.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121156027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).