5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

C19H24FN5O — CID 121305601

IUPAC5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1
InChIInChI=1S/C19H24FN5O/c1-12-10-25(8-7-21-12)11-13-9-22-23-19(13)15-3-5-16-14(18(15)20)4-6-17(26)24(16)2/h3,5,9,12,21H,4,6-8,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyBMYFHIAPCFXGNZ-GFCCVEGCSA-N
MW357.43 g/mol
LogP1.92
Rot. Bonds3

About 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 121305601) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID121305601
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1
InChIInChI=1S/C19H24FN5O/c1-12-10-25(8-7-21-12)11-13-9-22-23-19(13)15-3-5-16-14(18(15)20)4-6-17(26)24(16)2/h3,5,9,12,21H,4,6-8,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyBMYFHIAPCFXGNZ-GFCCVEGCSA-N
XLogP1.92
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
CID 135124681
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305407
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305412
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305425
6-[4-[(1-ethylsulfonylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305447
8-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 124221381
5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 139208789
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 121305601) is 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1.
What is the InChIKey of 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is BMYFHIAPCFXGNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-12-10-25(8-7-21-12)11-13-9-22-23-19(13)15-3-5-16-14(18(15)20)4-6-17(26)24(16)2/h3,5,9,12,21H,4,6-8,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 357.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-6-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).