4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one

C20H17ClFN5O3 — CID 86574308

IUPAC4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one
SMILESCOc1cncc(-c2cc(C(=O)N3CCNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN5O3/c1-30-14-6-12(9-23-10-14)18-8-17(20(29)26-5-4-24-19(28)11-26)25-27(18)13-2-3-16(22)15(21)7-13/h2-3,6-10H,4-5,11H2,1H3,(H,24,28)
InChIKeyGGWPEXBSCKZYHR-UHFFFAOYSA-N
MW429.84 g/mol
LogP2.31
Rot. Bonds4

About 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one

4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one (PubChem CID 86574308) has the molecular formula C20H17ClFN5O3 and a molecular weight of 429.84 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one
PubChem CID86574308
Molecular FormulaC20H17ClFN5O3
Molecular Weight429.84 g/mol
Exact Mass429.10
IUPAC Name4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one
SMILESCOc1cncc(-c2cc(C(=O)N3CCNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN5O3/c1-30-14-6-12(9-23-10-14)18-8-17(20(29)26-5-4-24-19(28)11-26)25-27(18)13-2-3-16(22)15(21)7-13/h2-3,6-10H,4-5,11H2,1H3,(H,24,28)
InChIKeyGGWPEXBSCKZYHR-UHFFFAOYSA-N
XLogP2.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
CID 145994833
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methoxypyridine-3-carboxamide
CID 56669839
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3238626
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3237467
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 10476504
N-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 10895106
N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11036640
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11068912
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024877
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981081

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one (CID 86574308) is 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one is COc1cncc(-c2cc(C(=O)N3CCNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one?
The InChIKey is GGWPEXBSCKZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O3/c1-30-14-6-12(9-23-10-14)18-8-17(20(29)26-5-4-24-19(28)11-26)25-27(18)13-2-3-16(22)15(21)7-13/h2-3,6-10H,4-5,11H2,1H3,(H,24,28).
What are the key properties of 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one?
4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one has a molecular weight of 429.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-fluorophenyl)-5-(5-methoxy-3-pyridinyl)pyrazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 86574308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).