5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

C24H26FN7O2 — CID 121305598

IUPAC5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2F
InChIInChI=1S/C24H26FN7O2/c1-29-9-16(8-27-29)23(34)32-13-24(14-32)11-31(12-24)10-15-7-26-28-22(15)18-3-5-19-17(21(18)25)4-6-20(33)30(19)2/h3,5,7-9H,4,6,10-14H2,1-2H3,(H,26,28)
InChIKeyRFXPRBJXFMYQNX-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.82
Rot. Bonds4

About 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 121305598) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID121305598
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2F
InChIInChI=1S/C24H26FN7O2/c1-29-9-16(8-27-29)23(34)32-13-24(14-32)11-31(12-24)10-15-7-26-28-22(15)18-3-5-19-17(21(18)25)4-6-20(33)30(19)2/h3,5,7-9H,4,6,10-14H2,1-2H3,(H,26,28)
InChIKeyRFXPRBJXFMYQNX-UHFFFAOYSA-N
XLogP1.82
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

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-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 139208789
5-Chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 121305454
1-Methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 139208786
7-fluoro-5-[4-(3-methylphenyl)-3-oxobutyl]-1H-pyrazolo[4,5-c]quinolin-4-one
CID 163677452
5-fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxymethyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305298
5-fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305395
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305424
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 121305598) is 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(-c1[nH]ncc1CN1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2F.
What is the InChIKey of 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is RFXPRBJXFMYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-29-9-16(8-27-29)23(34)32-13-24(14-32)11-31(12-24)10-15-7-26-28-22(15)18-3-5-19-17(21(18)25)4-6-20(33)30(19)2/h3,5,7-9H,4,6,10-14H2,1-2H3,(H,26,28).
What are the key properties of 5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 463.52 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-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).