[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C23H19F3N6O — CID 67090216

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N6O/c24-14-5-3-13(4-6-14)16-11-29-31-22(16)23(33)32-7-1-2-15(32)10-28-21-12-27-19-8-17(25)18(26)9-20(19)30-21/h3-6,8-9,11-12,15H,1-2,7,10H2,(H,28,30)(H,29,31)
InChIKeyRMAZFTYBWUMOMI-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.15
Rot. Bonds5

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 67090216) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID67090216
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N6O/c24-14-5-3-13(4-6-14)16-11-29-31-22(16)23(33)32-7-1-2-15(32)10-28-21-12-27-19-8-17(25)18(26)9-20(19)30-21/h3-6,8-9,11-12,15H,1-2,7,10H2,(H,28,30)(H,29,31)
InChIKeyRMAZFTYBWUMOMI-UHFFFAOYSA-N
XLogP4.15
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 10299463
6,7-difluoro-2-[[(2S)-1-[4-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090091
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 67090586
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 67090216) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is RMAZFTYBWUMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c24-14-5-3-13(4-6-14)16-11-29-31-22(16)23(33)32-7-1-2-15(32)10-28-21-12-27-19-8-17(25)18(26)9-20(19)30-21/h3-6,8-9,11-12,15H,1-2,7,10H2,(H,28,30)(H,29,31).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 452.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 67090216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).