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

C24H16F2N6O — CID 44571766

IUPAC3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
SMILESNc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C24H16F2N6O/c25-16-7-4-8-17(26)21(16)31-23(33)15-6-3-5-14(13-15)20-22(18-10-11-28-24(27)29-18)32-12-2-1-9-19(32)30-20/h1-13H,(H,31,33)(H2,27,28,29)
InChIKeyCXJXRPHNFJSDRE-UHFFFAOYSA-N
MW442.43 g/mol
LogP4.57
Rot. Bonds4

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

3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide (PubChem CID 44571766) has the molecular formula C24H16F2N6O and a molecular weight of 442.43 g/mol. Its IUPAC name is 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
PubChem CID44571766
Molecular FormulaC24H16F2N6O
Molecular Weight442.43 g/mol
Exact Mass442.14
IUPAC Name3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
SMILESNc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C24H16F2N6O/c25-16-7-4-8-17(26)21(16)31-23(33)15-6-3-5-14(13-15)20-22(18-10-11-28-24(27)29-18)32-12-2-1-9-19(32)30-20/h1-13H,(H,31,33)(H2,27,28,29)
InChIKeyCXJXRPHNFJSDRE-UHFFFAOYSA-N
XLogP4.57
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide?
The IUPAC name of 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide (CID 44571766) is 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide is Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1.
What is the InChIKey of 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide?
The InChIKey is CXJXRPHNFJSDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O/c25-16-7-4-8-17(26)21(16)31-23(33)15-6-3-5-14(13-15)20-22(18-10-11-28-24(27)29-18)32-12-2-1-9-19(32)30-20/h1-13H,(H,31,33)(H2,27,28,29).
What are the key properties of 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide?
3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide has a molecular weight of 442.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 44571766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).