1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one

C24H32N6O2 — CID 139208786

IUPAC1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cnn(C)c4)CC3)ccc21
InChIInChI=1S/C24H32N6O2/c1-28-15-20(14-26-28)24(32)30-9-7-16(8-10-30)11-19-13-25-27-23(19)18-3-5-21-17(12-18)4-6-22(31)29(21)2/h3,5,12,14-16,19,23,25,27H,4,6-11,13H2,1-2H3
InChIKeyIMIBLVKYCMGBNC-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.04
Rot. Bonds4

About 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one (PubChem CID 139208786) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
PubChem CID139208786
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cnn(C)c4)CC3)ccc21
InChIInChI=1S/C24H32N6O2/c1-28-15-20(14-26-28)24(32)30-9-7-16(8-10-30)11-19-13-25-27-23(19)18-3-5-21-17(12-18)4-6-22(31)29(21)2/h3,5,12,14-16,19,23,25,27H,4,6-11,13H2,1-2H3
InChIKeyIMIBLVKYCMGBNC-UHFFFAOYSA-N
XLogP2.04
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
2-tert-butyl-1'-(2-methyl-3-oxo-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937983
US9926282, Example 376
CID 145995470
US9926282, Example 383
CID 145995477
US9926282, Example 398
CID 145995491
US10065967, Example 7
CID 136213980
1-Methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
CID 139208792
5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one (CID 139208786) is 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cnn(C)c4)CC3)ccc21.
What is the InChIKey of 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is IMIBLVKYCMGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-28-15-20(14-26-28)24(32)30-9-7-16(8-10-30)11-19-13-25-27-23(19)18-3-5-21-17(12-18)4-6-22(31)29(21)2/h3,5,12,14-16,19,23,25,27H,4,6-11,13H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 436.56 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139208786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).