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

C23H29FN4O — CID 130303914

IUPAC5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESC=C(C)N1CCC([C@@H](C)c2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C23H29FN4O/c1-14(2)28-11-9-16(10-12-28)15(3)19-13-25-26-23(19)18-5-7-20-17(22(18)24)6-8-21(29)27(20)4/h5,7,13,15-16H,1,6,8-12H2,2-4H3,(H,25,26)/t15-/m1/s1
InChIKeyUGOQAHIYPMNAKP-OAHLLOKOSA-N
MW396.51 g/mol
LogP4.47
Rot. Bonds4

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

5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 130303914) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID130303914
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESC=C(C)N1CCC([C@@H](C)c2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C23H29FN4O/c1-14(2)28-11-9-16(10-12-28)15(3)19-13-25-26-23(19)18-5-7-20-17(22(18)24)6-8-21(29)27(20)4/h5,7,13,15-16H,1,6,8-12H2,2-4H3,(H,25,26)/t15-/m1/s1
InChIKeyUGOQAHIYPMNAKP-OAHLLOKOSA-N
XLogP4.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

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
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
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 130303913
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
1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 24819654
(3-(1H-pyrazol-3-yl)phenyl)(4-((2-methylquinolin-6-yl)methyl)piperidin-1-yl)methanone
CID 46885201

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 130303914) is 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is C=C(C)N1CCC([C@@H](C)c2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1.
What is the InChIKey of 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is UGOQAHIYPMNAKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-14(2)28-11-9-16(10-12-28)15(3)19-13-25-26-23(19)18-5-7-20-17(22(18)24)6-8-21(29)27(20)4/h5,7,13,15-16H,1,6,8-12H2,2-4H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 396.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-6-[4-[(1R)-1-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 130303914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).