2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate

C24H22BrF2N5O5S — CID 123244029

IUPAC2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCOc1ncc(-c2ccc3nc(NC(=O)OCC(C)C)c(Br)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H22BrF2N5O5S/c1-13(2)12-37-24(33)30-22-21(25)32-11-14(4-7-20(32)29-22)15-8-18(23(36-3)28-10-15)31-38(34,35)19-6-5-16(26)9-17(19)27/h4-11,13,31H,12H2,1-3H3,(H,30,33)
InChIKeyTYUAZDNNXWRXHW-UHFFFAOYSA-N
MW610.44 g/mol
LogP5.45
Rot. Bonds8

About 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate

2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate (PubChem CID 123244029) has the molecular formula C24H22BrF2N5O5S and a molecular weight of 610.44 g/mol. Its IUPAC name is 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate
PubChem CID123244029
Molecular FormulaC24H22BrF2N5O5S
Molecular Weight610.44 g/mol
Exact Mass609.05
IUPAC Name2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCOc1ncc(-c2ccc3nc(NC(=O)OCC(C)C)c(Br)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H22BrF2N5O5S/c1-13(2)12-37-24(33)30-22-21(25)32-11-14(4-7-20(32)29-22)15-8-18(23(36-3)28-10-15)31-38(34,35)19-6-5-16(26)9-17(19)27/h4-11,13,31H,12H2,1-3H3,(H,30,33)
InChIKeyTYUAZDNNXWRXHW-UHFFFAOYSA-N
XLogP5.45
TPSA123.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.44
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74763398
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
7-bromo-3-hydroxypyrido[1,2-a]pyrimidin-4-one;7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one;2,4-difluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 158486194
2,4-difluoro-N-[5-(3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-(2-methoxyethoxy)-3-pyridinyl]benzenesulfonamide
CID 155031847
2-bromo-4-fluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118617035
2-chloro-4-fluoro-N-[5-(3-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118617169
N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide
CID 66806999
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 140828753
N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-(3-methoxypropoxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118616762
2,4-difluoro-N-[5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-(methylamino)-3-pyridinyl]benzenesulfonamide
CID 118617125

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate (CID 123244029) is 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate is COc1ncc(-c2ccc3nc(NC(=O)OCC(C)C)c(Br)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate?
The InChIKey is TYUAZDNNXWRXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrF2N5O5S/c1-13(2)12-37-24(33)30-22-21(25)32-11-14(4-7-20(32)29-22)15-8-18(23(36-3)28-10-15)31-38(34,35)19-6-5-16(26)9-17(19)27/h4-11,13,31H,12H2,1-3H3,(H,30,33).
What are the key properties of 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate?
2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate has a molecular weight of 610.44 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-bromo-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 123244029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).