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

C26H24F3N5OS — CID 10164548

IUPAC[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CNc2nc3cc(F)c(F)cc3nc2C)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24F3N5OS/c1-14-25(33-22-12-20(29)19(28)11-21(22)31-14)30-13-18-5-3-4-10-34(18)26(35)23-24(36-15(2)32-23)16-6-8-17(27)9-7-16/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,30,33)
InChIKeyUZKZLSGJCVWYOJ-UHFFFAOYSA-N
MW511.57 g/mol
LogP5.89
Rot. Bonds5

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

[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 10164548) has the molecular formula C26H24F3N5OS and a molecular weight of 511.57 g/mol. Its IUPAC name is [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID10164548
Molecular FormulaC26H24F3N5OS
Molecular Weight511.57 g/mol
Exact Mass511.17
IUPAC Name[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CNc2nc3cc(F)c(F)cc3nc2C)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24F3N5OS/c1-14-25(33-22-12-20(29)19(28)11-21(22)31-14)30-13-18-5-3-4-10-34(18)26(35)23-24(36-15(2)32-23)16-6-8-17(27)9-7-16/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,30,33)
InChIKeyUZKZLSGJCVWYOJ-UHFFFAOYSA-N
XLogP5.89
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone with MolForge

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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]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 10164548) is [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCCCC2CNc2nc3cc(F)c(F)cc3nc2C)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is UZKZLSGJCVWYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5OS/c1-14-25(33-22-12-20(29)19(28)11-21(22)31-14)30-13-18-5-3-4-10-34(18)26(35)23-24(36-15(2)32-23)16-6-8-17(27)9-7-16/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,30,33).
What are the key properties of [2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 511.57 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 10164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).