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

C39H37Br2F3N8O2 — CID 159768311

IUPAC4-(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
SMILESCc1cc(-c2cnc3c(N)cc(Br)cn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Br)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C21H20BrF3N4O.C18H17BrN4O/c1-12-8-13(2-5-16(12)20(30)28-15-3-4-15)18-10-27-19-17(9-14(22)11-29(18)19)26-7-6-21(23,24)25;1-10-6-11(2-5-14(10)18(24)22-13-3-4-13)16-8-21-17-15(20)7-12(19)9-23(16)17/h2,5,8-11,15,26H,3-4,6-7H2,1H3,(H,28,30);2,5-9,13H,3-4,20H2,1H3,(H,22,24)
InChIKeyNFUDLMGOICBZDH-UHFFFAOYSA-N
MW866.58 g/mol
LogP8.88
Rot. Bonds9

About 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

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 (PubChem CID 159768311) has the molecular formula C39H37Br2F3N8O2 and a molecular weight of 866.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159768311
Molecular FormulaC39H37Br2F3N8O2
Molecular Weight866.58 g/mol
Exact Mass864.14
IUPAC Name4-(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
SMILESCc1cc(-c2cnc3c(N)cc(Br)cn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Br)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C21H20BrF3N4O.C18H17BrN4O/c1-12-8-13(2-5-16(12)20(30)28-15-3-4-15)18-10-27-19-17(9-14(22)11-29(18)19)26-7-6-21(23,24)25;1-10-6-11(2-5-14(10)18(24)22-13-3-4-13)16-8-21-17-15(20)7-12(19)9-23(16)17/h2,5,8-11,15,26H,3-4,6-7H2,1H3,(H,28,30);2,5-9,13H,3-4,20H2,1H3,(H,22,24)
InChIKeyNFUDLMGOICBZDH-UHFFFAOYSA-N
XLogP8.88
TPSA130.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.58
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-(1-cyanocyclopropyl)-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
CID 161343703
N-[(2S)-2-fluorocyclopropyl]-2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 70855212
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 161088628
2-methyl-N-[(1S,2S)-2-methylcyclopropyl]-4-[6-[(E)-prop-1-enyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 90386643
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-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
[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-a]pyridin-8-yl]-(2,2-difluoroethyl)carbamic acid
CID 88995651
N-cyclopropyl-2-methyl-4-[6-(3-methylanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 56929380
4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-(5-fluoro-2-methylanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 159842603
N-cyclopropyl-4-[6-(3-fluorophenyl)sulfinyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66692036
N-cyclopropyl-4-[6-(2,5-difluorophenyl)sulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 56928911
2-cyclopropyl-1-[4-[6-(3-hydroxypropyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]ethanone
CID 159706472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cnc3c(N)cc(Br)cn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Br)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of 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?
The InChIKey is NFUDLMGOICBZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N4O.C18H17BrN4O/c1-12-8-13(2-5-16(12)20(30)28-15-3-4-15)18-10-27-19-17(9-14(22)11-29(18)19)26-7-6-21(23,24)25;1-10-6-11(2-5-14(10)18(24)22-13-3-4-13)16-8-21-17-15(20)7-12(19)9-23(16)17/h2,5,8-11,15,26H,3-4,6-7H2,1H3,(H,28,30);2,5-9,13H,3-4,20H2,1H3,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 866.58 g/mol, XLogP of 8.88, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).