3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)

C77H63BrCl2N12O3 — CID 123738111

IUPAC3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/2C28H23ClN4O.C21H17BrN4O/c2*1-18-14-22(15-20-5-9-23(29)10-6-20)26(30-16-18)28(34)31-24-11-7-21(8-12-24)25-17-33-13-3-4-19(2)27(33)32-25;1-13-10-17(22)19(23-11-13)21(27)24-16-7-5-15(6-8-16)18-12-26-9-3-4-14(2)20(26)25-18/h2*3-14,16-17H,15H2,1-2H3,(H,31,34);3-12H,1-2H3,(H,24,27)
InChIKeyBPNFLVGOWMFEIT-UHFFFAOYSA-N
MW1355.24 g/mol
LogP18.05
Rot. Bonds13

About 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)

3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) (PubChem CID 123738111) has the molecular formula C77H63BrCl2N12O3 and a molecular weight of 1355.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide).

Molecular Properties

Compound Name3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
PubChem CID123738111
Molecular FormulaC77H63BrCl2N12O3
Molecular Weight1355.24 g/mol
Exact Mass1352.37
IUPAC Name3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/2C28H23ClN4O.C21H17BrN4O/c2*1-18-14-22(15-20-5-9-23(29)10-6-20)26(30-16-18)28(34)31-24-11-7-21(8-12-24)25-17-33-13-3-4-19(2)27(33)32-25;1-13-10-17(22)19(23-11-13)21(27)24-16-7-5-15(6-8-16)18-12-26-9-3-4-14(2)20(26)25-18/h2*3-14,16-17H,15H2,1-2H3,(H,31,34);3-12H,1-2H3,(H,24,27)
InChIKeyBPNFLVGOWMFEIT-UHFFFAOYSA-N
XLogP18.05
TPSA177.87 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.24
LogP ≤ 518.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-3-methylpyridine-2-carboxamide;6-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 160501547
3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58236491
3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
CID 89120690
6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90480323
8-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90480399
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 123147124
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 123326895
2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)
CID 123829966
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 123954774
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-chloro-4-[1-(isocyanomethyl)cyclohexyl]benzene;4-[[8-[4-(4-chlorophenyl)-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157137943
3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate
CID 157163883
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157322136

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The IUPAC name of 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) (CID 123738111) is 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide).
What is the SMILES notation for 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The canonical SMILES for 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
The InChIKey is BPNFLVGOWMFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H23ClN4O.C21H17BrN4O/c2*1-18-14-22(15-20-5-9-23(29)10-6-20)26(30-16-18)28(34)31-24-11-7-21(8-12-24)25-17-33-13-3-4-19(2)27(33)32-25;1-13-10-17(22)19(23-11-13)21(27)24-16-7-5-15(6-8-16)18-12-26-9-3-4-14(2)20(26)25-18/h2*3-14,16-17H,15H2,1-2H3,(H,31,34);3-12H,1-2H3,(H,24,27).
What are the key properties of 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)?
3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) has a molecular weight of 1355.24 g/mol, XLogP of 18.05, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide) is sourced from PubChem (CID 123738111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).