[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid

C21H19BrF2N4O3 — CID 88995651

IUPAC[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
SMILESCc1cc(-c2cnc3c(N(CC(F)F)C(=O)O)cc(Br)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C21H19BrF2N4O3/c1-11-6-12(2-5-15(11)20(29)26-14-3-4-14)17-8-25-19-16(7-13(22)9-27(17)19)28(21(30)31)10-18(23)24/h2,5-9,14,18H,3-4,10H2,1H3,(H,26,29)(H,30,31)
InChIKeyLHJMWZDADSWNEJ-UHFFFAOYSA-N
MW493.31 g/mol
LogP4.71
Rot. Bonds6

About [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid

[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid (PubChem CID 88995651) has the molecular formula C21H19BrF2N4O3 and a molecular weight of 493.31 g/mol. Its IUPAC name is [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid.

Molecular Properties

Compound Name[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
PubChem CID88995651
Molecular FormulaC21H19BrF2N4O3
Molecular Weight493.31 g/mol
Exact Mass492.06
IUPAC Name[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
SMILESCc1cc(-c2cnc3c(N(CC(F)F)C(=O)O)cc(Br)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C21H19BrF2N4O3/c1-11-6-12(2-5-15(11)20(29)26-14-3-4-14)17-8-25-19-16(7-13(22)9-27(17)19)28(21(30)31)10-18(23)24/h2,5-9,14,18H,3-4,10H2,1H3,(H,26,29)(H,30,31)
InChIKeyLHJMWZDADSWNEJ-UHFFFAOYSA-N
XLogP4.71
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.31
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid 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

4-(8-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-methylbenzamide;4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 159768311
[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
CID 70818165
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
N-cyclopropyl-4-(3-ethyl-2-methylimidazol-4-yl)-2-methylbenzamide
CID 123391928
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylsulfanylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67974322
N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380326
N-cyclopropyl-4-[8-(2-hydroxyethylamino)-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 118102453
N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973656
2-[[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-b]pyridazin-8-yl]amino]ethanesulfonic acid
CID 87112998
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(5-fluoro-2-hydroxyphenoxy)imidazo[1,2-a]pyridin-8-yl]-N-(2-methoxyethyl)carbamate;N-cyclopropyl-4-[6-(5-fluoro-2-hydroxyphenoxy)-8-(2-methoxyethylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 161024571

Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid?
The IUPAC name of [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid (CID 88995651) is [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid.
What is the SMILES notation for [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid?
The canonical SMILES for [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid is Cc1cc(-c2cnc3c(N(CC(F)F)C(=O)O)cc(Br)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid?
The InChIKey is LHJMWZDADSWNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrF2N4O3/c1-11-6-12(2-5-15(11)20(29)26-14-3-4-14)17-8-25-19-16(7-13(22)9-27(17)19)28(21(30)31)10-18(23)24/h2,5-9,14,18H,3-4,10H2,1H3,(H,26,29)(H,30,31).
What are the key properties of [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid?
[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid has a molecular weight of 493.31 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid is sourced from PubChem (CID 88995651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).