5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide

C25H15ClF3N5O2 — CID 59452908

IUPAC5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3cc(F)ccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C25H15ClF3N5O2/c1-36-19-6-5-13(11-15(19)24(35)33-22-16(28)3-2-4-17(22)29)21-23(18-7-9-30-25(26)31-18)34-10-8-14(27)12-20(34)32-21/h2-12H,1H3,(H,33,35)
InChIKeyHCXUDEOZCVNZDY-UHFFFAOYSA-N
MW509.88 g/mol
LogP5.79
Rot. Bonds5

About 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide

5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide (PubChem CID 59452908) has the molecular formula C25H15ClF3N5O2 and a molecular weight of 509.88 g/mol. Its IUPAC name is 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide
PubChem CID59452908
Molecular FormulaC25H15ClF3N5O2
Molecular Weight509.88 g/mol
Exact Mass509.09
IUPAC Name5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3cc(F)ccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C25H15ClF3N5O2/c1-36-19-6-5-13(11-15(19)24(35)33-22-16(28)3-2-4-17(22)29)21-23(18-7-9-30-25(26)31-18)34-10-8-14(27)12-20(34)32-21/h2-12H,1H3,(H,33,35)
InChIKeyHCXUDEOZCVNZDY-UHFFFAOYSA-N
XLogP5.79
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.88
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59452936
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452573
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452723
N-(2,6-difluorophenyl)-5-[3-[2-[2-ethoxy-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59860271
N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-4-(4-propylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452957
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
CID 59452582
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[(3S)-4-(2-methylsulfonylethyl)-3-propan-2-ylpiperazin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452920
N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylperoxysulfanylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452802
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452959
N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-ethoxy-4-[1-(2-methylperoxysulfanylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452585
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452740
3-[3-[2-[4-[4-(azepan-1-yl)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452832

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide (CID 59452908) is 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide is COc1ccc(-c2nc3cc(F)ccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide?
The InChIKey is HCXUDEOZCVNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N5O2/c1-36-19-6-5-13(11-15(19)24(35)33-22-16(28)3-2-4-17(22)29)21-23(18-7-9-30-25(26)31-18)34-10-8-14(27)12-20(34)32-21/h2-12H,1H3,(H,33,35).
What are the key properties of 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide?
5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide has a molecular weight of 509.88 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chloropyrimidin-4-yl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 59452908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).