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]-1,3-oxazole-5-carboxamide

C26H29FN6O3 — CID 169077552

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]-1,3-oxazole-5-carboxamide
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)c(F)cc3C)cn2n1
InChIInChI=1S/C26H29FN6O3/c1-15-10-19(27)20(30-24(34)22-13-28-25(36-22)26(3,4)5)12-18(15)17-11-21(32-6-8-35-9-7-32)23-29-16(2)31-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,30,34)
InChIKeyZDVFEAGBHKYHHB-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.53
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]-1,3-oxazole-5-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]-1,3-oxazole-5-carboxamide (PubChem CID 169077552) has the molecular formula C26H29FN6O3 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]-1,3-oxazole-5-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]-1,3-oxazole-5-carboxamide
PubChem CID169077552
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
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]-1,3-oxazole-5-carboxamide
SMILESCc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)c(F)cc3C)cn2n1
InChIInChI=1S/C26H29FN6O3/c1-15-10-19(27)20(30-24(34)22-13-28-25(36-22)26(3,4)5)12-18(15)17-11-21(32-6-8-35-9-7-32)23-29-16(2)31-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,30,34)
InChIKeyZDVFEAGBHKYHHB-UHFFFAOYSA-N
XLogP4.53
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-1,3-oxazole-5-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]-1,3-oxazole-5-carboxamide (CID 169077552) 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]-1,3-oxazole-5-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]-1,3-oxazole-5-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]-1,3-oxazole-5-carboxamide is Cc1nc2c(N3CCOCC3)cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)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]-1,3-oxazole-5-carboxamide?
The InChIKey is ZDVFEAGBHKYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-15-10-19(27)20(30-24(34)22-13-28-25(36-22)26(3,4)5)12-18(15)17-11-21(32-6-8-35-9-7-32)23-29-16(2)31-33(23)14-17/h10-14H,6-9H2,1-5H3,(H,30,34).
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]-1,3-oxazole-5-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]-1,3-oxazole-5-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 169077552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).