1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide

C25H28FN7O2 — CID 169077945

IUPAC1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H28FN7O2/c1-16-11-19(26)20(28-24(34)21-15-33(30-29-21)25(2,3)4)13-18(16)17-12-22(31-7-9-35-10-8-31)23-27-5-6-32(23)14-17/h5-6,11-15H,7-10H2,1-4H3,(H,28,34)
InChIKeyYIYSYHIPPIPHKG-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.88
Rot. Bonds4

About 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide

1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide (PubChem CID 169077945) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
PubChem CID169077945
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nn2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H28FN7O2/c1-16-11-19(26)20(28-24(34)21-15-33(30-29-21)25(2,3)4)13-18(16)17-12-22(31-7-9-35-10-8-31)23-27-5-6-32(23)14-17/h5-6,11-15H,7-10H2,1-4H3,(H,28,34)
InChIKeyYIYSYHIPPIPHKG-UHFFFAOYSA-N
XLogP3.88
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 169130860
(3R)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 169077628
N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-(1-methylcyclopropyl)pyrrolidine-1-carboxamide
CID 169077653
2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
CID 169077851
1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077877
1-tert-butyl-3-fluoro-N-[5-fluoro-4-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169077818
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide
CID 169077749
(5-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)anilino]methanol
CID 170092849
2-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077793
2-tert-butyl-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 169077678
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077763
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide (CID 169077945) is 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide is Cc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nn2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide?
The InChIKey is YIYSYHIPPIPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-16-11-19(26)20(28-24(34)21-15-33(30-29-21)25(2,3)4)13-18(16)17-12-22(31-7-9-35-10-8-31)23-27-5-6-32(23)14-17/h5-6,11-15H,7-10H2,1-4H3,(H,28,34).
What are the key properties of 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide?
1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 169077945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).