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

C24H28FN7O2 — CID 146258967

IUPAC5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCC1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C24H28FN7O2/c1-15-12-31(8-9-32(15)24(34)17-11-27-29(2)13-17)14-16-10-26-28-23(16)19-4-6-20-18(22(19)25)5-7-21(33)30(20)3/h4,6,10-11,13,15H,5,7-9,12,14H2,1-3H3,(H,26,28)
InChIKeyRCPNNNMQJUHYBE-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.20
Rot. Bonds4

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

5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 146258967) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-[4-[[3-methyl-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-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID146258967
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCC1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C24H28FN7O2/c1-15-12-31(8-9-32(15)24(34)17-11-27-29(2)13-17)14-16-10-26-28-23(16)19-4-6-20-18(22(19)25)5-7-21(33)30(20)3/h4,6,10-11,13,15H,5,7-9,12,14H2,1-3H3,(H,26,28)
InChIKeyRCPNNNMQJUHYBE-UHFFFAOYSA-N
XLogP2.20
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-methyl-6-[4-[[3-methyl-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
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967890
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-6-[4-[[3-methyl-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-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 146258967) is 5-fluoro-1-methyl-6-[4-[[3-methyl-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-[[3-methyl-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-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is CC1CN(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CCN1C(=O)c1cnn(C)c1.
What is the InChIKey of 5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is RCPNNNMQJUHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-15-12-31(8-9-32(15)24(34)17-11-27-29(2)13-17)14-16-10-26-28-23(16)19-4-6-20-18(22(19)25)5-7-21(33)30(20)3/h4,6,10-11,13,15H,5,7-9,12,14H2,1-3H3,(H,26,28).
What are the key properties of 5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 465.53 g/mol, XLogP of 2.20, 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-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146258967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).