3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide

C25H23F2N5O2 — CID 90463408

IUPAC3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H23F2N5O2/c1-16-21(13-20(14-29-16)30-25(33)18-4-2-3-17(11-18)23(26)27)19-12-22(31-7-9-34-10-8-31)24-28-5-6-32(24)15-19/h2-6,11-15,23H,7-10H2,1H3,(H,30,33)
InChIKeyZJIRCPUOQNBUEV-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.73
Rot. Bonds5

About 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide (PubChem CID 90463408) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide
PubChem CID90463408
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H23F2N5O2/c1-16-21(13-20(14-29-16)30-25(33)18-4-2-3-17(11-18)23(26)27)19-12-22(31-7-9-34-10-8-31)24-28-5-6-32(24)15-19/h2-6,11-15,23H,7-10H2,1H3,(H,30,33)
InChIKeyZJIRCPUOQNBUEV-UHFFFAOYSA-N
XLogP4.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide (CID 90463408) is 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide is Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide?
The InChIKey is ZJIRCPUOQNBUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-16-21(13-20(14-29-16)30-25(33)18-4-2-3-17(11-18)23(26)27)19-12-22(31-7-9-34-10-8-31)24-28-5-6-32(24)15-19/h2-6,11-15,23H,7-10H2,1H3,(H,30,33).
What are the key properties of 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 90463408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).