6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine

C46H47Br2Cl4F2N9O3 — CID 165038076

IUPAC6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine
SMILESCc1c(Cl)c(Br)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)c(NC(=O)c2cccc(C(F)F)c2)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)ccnc1N.Cc1c(N)ncc(Br)c1Cl
InChIInChI=1S/C21H20ClF2N3O2.C13H14BrClN2O.C6H6BrClN2.C6H7ClN2/c1-12-18(22)17(26-21(28)15-4-2-3-14(9-15)19(23)24)11-27-10-16(25-20(12)27)13-5-7-29-8-6-13;1-8-12(15)10(14)6-17-7-11(16-13(8)17)9-2-4-18-5-3-9;1-3-5(8)4(7)2-10-6(3)9;1-4-5(7)2-3-9-6(4)8/h2-4,9-11,13,19H,5-8H2,1H3,(H,26,28);6-7,9H,2-5H2,1H3;2H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)
InChIKeyNRRNJWXXHXZMPU-UHFFFAOYSA-N
MW1113.56 g/mol
LogP13.35
Rot. Bonds5

About 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine

6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine (PubChem CID 165038076) has the molecular formula C46H47Br2Cl4F2N9O3 and a molecular weight of 1113.56 g/mol. Its IUPAC name is 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine
PubChem CID165038076
Molecular FormulaC46H47Br2Cl4F2N9O3
Molecular Weight1113.56 g/mol
Exact Mass1109.09
IUPAC Name6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine
SMILESCc1c(Cl)c(Br)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)c(NC(=O)c2cccc(C(F)F)c2)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)ccnc1N.Cc1c(N)ncc(Br)c1Cl
InChIInChI=1S/C21H20ClF2N3O2.C13H14BrClN2O.C6H6BrClN2.C6H7ClN2/c1-12-18(22)17(26-21(28)15-4-2-3-14(9-15)19(23)24)11-27-10-16(25-20(12)27)13-5-7-29-8-6-13;1-8-12(15)10(14)6-17-7-11(16-13(8)17)9-2-4-18-5-3-9;1-3-5(8)4(7)2-10-6(3)9;1-4-5(7)2-3-9-6(4)8/h2-4,9-11,13,19H,5-8H2,1H3,(H,26,28);6-7,9H,2-5H2,1H3;2H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)
InChIKeyNRRNJWXXHXZMPU-UHFFFAOYSA-N
XLogP13.35
TPSA159.98 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.56
LogP ≤ 513.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine?
The IUPAC name of 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine (CID 165038076) is 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine is Cc1c(Cl)c(Br)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)c(NC(=O)c2cccc(C(F)F)c2)cn2cc(C3CCOCC3)nc12.Cc1c(Cl)ccnc1N.Cc1c(N)ncc(Br)c1Cl.
What is the InChIKey of 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine?
The InChIKey is NRRNJWXXHXZMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O2.C13H14BrClN2O.C6H6BrClN2.C6H7ClN2/c1-12-18(22)17(26-21(28)15-4-2-3-14(9-15)19(23)24)11-27-10-16(25-20(12)27)13-5-7-29-8-6-13;1-8-12(15)10(14)6-17-7-11(16-13(8)17)9-2-4-18-5-3-9;1-3-5(8)4(7)2-10-6(3)9;1-4-5(7)2-3-9-6(4)8/h2-4,9-11,13,19H,5-8H2,1H3,(H,26,28);6-7,9H,2-5H2,1H3;2H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9).
What are the key properties of 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine?
6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine has a molecular weight of 1113.56 g/mol, XLogP of 13.35, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-chloro-3-methylpyridin-2-amine;N-[7-chloro-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-(difluoromethyl)benzamide;4-chloro-3-methylpyridin-2-amine is sourced from PubChem (CID 165038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).