5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide

C26H24F3N5O2 — CID 169077819

IUPAC5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cncc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H24F3N5O2/c1-16-9-21(27)22(32-25(35)17-10-19(14-30-13-17)26(2,28)29)12-20(16)18-11-23(33-5-7-36-8-6-33)24-31-3-4-34(24)15-18/h3-4,9-15H,5-8H2,1-2H3,(H,32,35)
InChIKeyLOMLVSPMBMYTRE-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.04
Rot. Bonds5

About 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide

5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 169077819) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide
PubChem CID169077819
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cncc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H24F3N5O2/c1-16-9-21(27)22(32-25(35)17-10-19(14-30-13-17)26(2,28)29)12-20(16)18-11-23(33-5-7-36-8-6-33)24-31-3-4-34(24)15-18/h3-4,9-15H,5-8H2,1-2H3,(H,32,35)
InChIKeyLOMLVSPMBMYTRE-UHFFFAOYSA-N
XLogP5.04
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide (CID 169077819) is 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide is Cc1cc(F)c(NC(=O)c2cncc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is LOMLVSPMBMYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-16-9-21(27)22(32-25(35)17-10-19(14-30-13-17)26(2,28)29)12-20(16)18-11-23(33-5-7-36-8-6-33)24-31-3-4-34(24)15-18/h3-4,9-15H,5-8H2,1-2H3,(H,32,35).
What are the key properties of 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide?
5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 169077819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).