2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C26H19F2N5O — CID 59420898

IUPAC2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCNC(=O)c1c(F)cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C26H19F2N5O/c1-29-24(34)23-19(27)10-16(11-20(23)28)17-12-31-25-32-13-22(33(25)14-17)26(6-7-26)18-4-5-21-15(9-18)3-2-8-30-21/h2-5,8-14H,6-7H2,1H3,(H,29,34)
InChIKeyDBEJNLCJJZBFEX-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.66
Rot. Bonds4

About 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420898) has the molecular formula C26H19F2N5O and a molecular weight of 455.47 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420898
Molecular FormulaC26H19F2N5O
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC Name2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCNC(=O)c1c(F)cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C26H19F2N5O/c1-29-24(34)23-19(27)10-16(11-20(23)28)17-12-31-25-32-13-22(33(25)14-17)26(6-7-26)18-4-5-21-15(9-18)3-2-8-30-21/h2-5,8-14H,6-7H2,1H3,(H,29,34)
InChIKeyDBEJNLCJJZBFEX-UHFFFAOYSA-N
XLogP4.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420898) is 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is CNC(=O)c1c(F)cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is DBEJNLCJJZBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O/c1-29-24(34)23-19(27)10-16(11-20(23)28)17-12-31-25-32-13-22(33(25)14-17)26(6-7-26)18-4-5-21-15(9-18)3-2-8-30-21/h2-5,8-14H,6-7H2,1H3,(H,29,34).
What are the key properties of 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 455.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).