5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

C23H26FN7O2 — CID 121305596

IUPAC5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CCN(C(=O)c3cnn(C)c3)CC1)c2F
InChIInChI=1S/C23H26FN7O2/c1-28-13-16(12-26-28)23(33)31-9-7-30(8-10-31)14-15-11-25-27-22(15)18-3-5-19-17(21(18)24)4-6-20(32)29(19)2/h3,5,11-13H,4,6-10,14H2,1-2H3,(H,25,27)
InChIKeyDWTFIEAUBGCFQO-UHFFFAOYSA-N
MW451.51 g/mol
LogP1.82
Rot. Bonds4

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

5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 121305596) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID121305596
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CCN(C(=O)c3cnn(C)c3)CC1)c2F
InChIInChI=1S/C23H26FN7O2/c1-28-13-16(12-26-28)23(33)31-9-7-30(8-10-31)14-15-11-25-27-22(15)18-3-5-19-17(21(18)24)4-6-20(32)29(19)2/h3,5,11-13H,4,6-10,14H2,1-2H3,(H,25,27)
InChIKeyDWTFIEAUBGCFQO-UHFFFAOYSA-N
XLogP1.82
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389971
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967888
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
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
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
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 150283944
[(2R)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 156010848
5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
CID 91937974

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 121305596) is 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CCN(C(=O)c3cnn(C)c3)CC1)c2F.
What is the InChIKey of 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is DWTFIEAUBGCFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-28-13-16(12-26-28)23(33)31-9-7-30(8-10-31)14-15-11-25-27-22(15)18-3-5-19-17(21(18)24)4-6-20(32)29(19)2/h3,5,11-13H,4,6-10,14H2,1-2H3,(H,25,27).
What are the key properties of 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 451.51 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).