1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one

C20H17FN4O — CID 168964949

IUPAC1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)ncc2CN2CC=CC2=O)n1
InChIInChI=1S/C20H17FN4O/c1-24-10-8-18(23-24)17-11-19(14-4-6-16(21)7-5-14)22-12-15(17)13-25-9-2-3-20(25)26/h2-8,10-12H,9,13H2,1H3
InChIKeyIXYJSYOSOPTCMA-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.19
Rot. Bonds4

About 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one

1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one (PubChem CID 168964949) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one
PubChem CID168964949
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)ncc2CN2CC=CC2=O)n1
InChIInChI=1S/C20H17FN4O/c1-24-10-8-18(23-24)17-11-19(14-4-6-16(21)7-5-14)22-12-15(17)13-25-9-2-3-20(25)26/h2-8,10-12H,9,13H2,1H3
InChIKeyIXYJSYOSOPTCMA-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(E)-N-hydroxy-3-[4-[1-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290521
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
CID 53364357
1-[(3-Fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186074
1-[(3-Methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186078

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one?
The IUPAC name of 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one (CID 168964949) is 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one is Cn1ccc(-c2cc(-c3ccc(F)cc3)ncc2CN2CC=CC2=O)n1.
What is the InChIKey of 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one?
The InChIKey is IXYJSYOSOPTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-24-10-8-18(23-24)17-11-19(14-4-6-16(21)7-5-14)22-12-15(17)13-25-9-2-3-20(25)26/h2-8,10-12H,9,13H2,1H3.
What are the key properties of 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one?
1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one has a molecular weight of 348.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 168964949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).