3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one

C29H28FN5O2 — CID 59484125

IUPAC3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
SMILESCCCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(F)c3=O)cccc12
InChIInChI=1S/C29H28FN5O2/c1-4-7-20-15-32-34-27(20)22-14-19(3)33-28-21(22)8-5-10-26(28)37-17-23-18(2)11-12-31-25(23)16-35-13-6-9-24(30)29(35)36/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,32,34)
InChIKeyIYZNQVSOCDWCNR-UHFFFAOYSA-N
MW497.57 g/mol
LogP5.52
Rot. Bonds8

About 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one

3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one (PubChem CID 59484125) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
PubChem CID59484125
Molecular FormulaC29H28FN5O2
Molecular Weight497.57 g/mol
Exact Mass497.22
IUPAC Name3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
SMILESCCCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(F)c3=O)cccc12
InChIInChI=1S/C29H28FN5O2/c1-4-7-20-15-32-34-27(20)22-14-19(3)33-28-21(22)8-5-10-26(28)37-17-23-18(2)11-12-31-25(23)16-35-13-6-9-24(30)29(35)36/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,32,34)
InChIKeyIYZNQVSOCDWCNR-UHFFFAOYSA-N
XLogP5.52
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]benzamide
CID 59484122
1-[[4-methyl-3-[[2-methyl-4-(1,3-thiazol-2-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59484164
1-[[4-chloro-3-[[4-[4-(hydroxymethyl)-1H-pyrazol-5-yl]-2-methylquinolin-8-yl]oxymethyl]-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 25018172
4-methyl-5-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-2-one
CID 59484376
1-[[4-methyl-3-[[2-methyl-4-(5-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59483901
1-[[3-[[4-(4-cyano-1H-pyrazol-5-yl)-2-methylquinolin-8-yl]oxymethyl]-4-iodo-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 70850271
1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 71053246
1-[[2-ethyl-5-fluoro-4-[[2-methyl-4-(3-methyl-1H-pyrrol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-(methyliminomethyl)pyridin-2-one
CID 91285478
1-[[2-ethyl-5-fluoro-4-[[2-methyl-4-(3-methyl-1H-pyrrol-2-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3-methanimidoylpyridin-2-one
CID 143958563
1-[[3-[[4-(5-chloro-1,3-thiazol-4-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-ethanimidoylpyridin-2-one
CID 145480891
1-[[5-chloro-4-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-oxo-1H-pyridin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
CID 59483959
N,2-dimethyl-N-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]oxy]propanamide
CID 59484503

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one (CID 59484125) is 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one is CCCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(F)c3=O)cccc12.
What is the InChIKey of 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one?
The InChIKey is IYZNQVSOCDWCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c1-4-7-20-15-32-34-27(20)22-14-19(3)33-28-21(22)8-5-10-26(28)37-17-23-18(2)11-12-31-25(23)16-35-13-6-9-24(30)29(35)36/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,32,34).
What are the key properties of 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one?
3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one has a molecular weight of 497.57 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 59484125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).