[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C25H23F3N6O — CID 10299463

IUPAC[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1nc2cc(F)c(F)cc2nc1NCC1CCCCN1C(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C25H23F3N6O/c1-14-24(32-22-11-20(28)19(27)10-21(22)31-14)29-12-17-4-2-3-9-34(17)25(35)23-18(13-30-33-23)15-5-7-16(26)8-6-15/h5-8,10-11,13,17H,2-4,9,12H2,1H3,(H,29,32)(H,30,33)
InChIKeyALXWSVZFIKQVRX-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.85
Rot. Bonds5

About [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 10299463) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID10299463
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC Name[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1nc2cc(F)c(F)cc2nc1NCC1CCCCN1C(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C25H23F3N6O/c1-14-24(32-22-11-20(28)19(27)10-21(22)31-14)29-12-17-4-2-3-9-34(17)25(35)23-18(13-30-33-23)15-5-7-16(26)8-6-15/h5-8,10-11,13,17H,2-4,9,12H2,1H3,(H,29,32)(H,30,33)
InChIKeyALXWSVZFIKQVRX-UHFFFAOYSA-N
XLogP4.85
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 10299463) is [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is Cc1nc2cc(F)c(F)cc2nc1NCC1CCCCN1C(=O)c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is ALXWSVZFIKQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-14-24(32-22-11-20(28)19(27)10-21(22)31-14)29-12-17-4-2-3-9-34(17)25(35)23-18(13-30-33-23)15-5-7-16(26)8-6-15/h5-8,10-11,13,17H,2-4,9,12H2,1H3,(H,29,32)(H,30,33).
What are the key properties of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 480.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 10299463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).