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

C25H29FN8O2 — CID 169077793

IUPAC2-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
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnn(C(C)(C)C)n4)c(F)cc3C)cn2n1
InChIInChI=1S/C25H29FN8O2/c1-15-10-19(26)20(29-24(35)21-13-27-34(31-21)25(3,4)5)12-18(15)17-11-22(32-6-8-36-9-7-32)23-28-16(2)30-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,29,35)
InChIKeyMDLURUXSKAJTOE-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.59
Rot. Bonds4

About 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

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 (PubChem CID 169077793) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID169077793
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Name2-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
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnn(C(C)(C)C)n4)c(F)cc3C)cn2n1
InChIInChI=1S/C25H29FN8O2/c1-15-10-19(26)20(29-24(35)21-13-27-34(31-21)25(3,4)5)12-18(15)17-11-22(32-6-8-36-9-7-32)23-28-16(2)30-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,29,35)
InChIKeyMDLURUXSKAJTOE-UHFFFAOYSA-N
XLogP3.59
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 176698073
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-yl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 176698012
N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 170237490
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
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
methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
CID 169077757
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
N-(2-tert-butyl-1,3-oxazol-5-yl)-N,5-dimethyl-4-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide
CID 170236300
5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 176697998
(3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 169077610
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[5-morpholin-4-yl-2-(trihydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]phenyl]pyrazole-4-carboxamide
CID 176697955

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnn(C(C)(C)C)n4)c(F)cc3C)cn2n1.
What is the InChIKey of 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?
The InChIKey is MDLURUXSKAJTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c1-15-10-19(26)20(29-24(35)21-13-27-34(31-21)25(3,4)5)12-18(15)17-11-22(32-6-8-36-9-7-32)23-28-16(2)30-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,29,35).
What are the key properties of 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?
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 has a molecular weight of 492.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169077793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).