3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide

C26H18ClF2N5O2 — CID 87090207

IUPAC3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide
SMILESCCOc1c(C(=O)Nc2c(F)cccc2F)cccc1-c1nc2ccccn2c1-c1ccnc(Cl)n1
InChIInChI=1S/C26H18ClF2N5O2/c1-2-36-24-15(7-5-8-16(24)25(35)33-22-17(28)9-6-10-18(22)29)21-23(19-12-13-30-26(27)31-19)34-14-4-3-11-20(34)32-21/h3-14H,2H2,1H3,(H,33,35)
InChIKeyZAKOYHWYCUZRNM-UHFFFAOYSA-N
MW505.91 g/mol
LogP6.04
Rot. Bonds6

About 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide

3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide (PubChem CID 87090207) has the molecular formula C26H18ClF2N5O2 and a molecular weight of 505.91 g/mol. Its IUPAC name is 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide.

Molecular Properties

Compound Name3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide
PubChem CID87090207
Molecular FormulaC26H18ClF2N5O2
Molecular Weight505.91 g/mol
Exact Mass505.11
IUPAC Name3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide
SMILESCCOc1c(C(=O)Nc2c(F)cccc2F)cccc1-c1nc2ccccn2c1-c1ccnc(Cl)n1
InChIInChI=1S/C26H18ClF2N5O2/c1-2-36-24-15(7-5-8-16(24)25(35)33-22-17(28)9-6-10-18(22)29)21-23(19-12-13-30-26(27)31-19)34-14-4-3-11-20(34)32-21/h3-14H,2H2,1H3,(H,33,35)
InChIKeyZAKOYHWYCUZRNM-UHFFFAOYSA-N
XLogP6.04
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide?
The IUPAC name of 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide (CID 87090207) is 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide.
What is the SMILES notation for 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide?
The canonical SMILES for 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide is CCOc1c(C(=O)Nc2c(F)cccc2F)cccc1-c1nc2ccccn2c1-c1ccnc(Cl)n1.
What is the InChIKey of 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide?
The InChIKey is ZAKOYHWYCUZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O2/c1-2-36-24-15(7-5-8-16(24)25(35)33-22-17(28)9-6-10-18(22)29)21-23(19-12-13-30-26(27)31-19)34-14-4-3-11-20(34)32-21/h3-14H,2H2,1H3,(H,33,35).
What are the key properties of 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide?
3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide has a molecular weight of 505.91 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-ethoxybenzamide is sourced from PubChem (CID 87090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).