2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide

C27H27FN6O3 — CID 176697967

IUPAC2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc2cc(-c3cc(NC(=O)c4cnc(C56CC5C6)o4)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C27H27FN6O3/c1-3-22-31-23-9-16(10-24(34(23)32-22)33-4-6-36-7-5-33)18-11-20(19(28)8-15(18)2)30-25(35)21-14-29-26(37-21)27-12-17(27)13-27/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,30,35)
InChIKeyRKBBFMDVYZQXPO-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.14
Rot. Bonds6

About 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide

2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide (PubChem CID 176697967) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
PubChem CID176697967
Molecular FormulaC27H27FN6O3
Molecular Weight502.55 g/mol
Exact Mass502.21
IUPAC Name2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc2cc(-c3cc(NC(=O)c4cnc(C56CC5C6)o4)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C27H27FN6O3/c1-3-22-31-23-9-16(10-24(34(23)32-22)33-4-6-36-7-5-33)18-11-20(19(28)8-15(18)2)30-25(35)21-14-29-26(37-21)27-12-17(27)13-27/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,30,35)
InChIKeyRKBBFMDVYZQXPO-UHFFFAOYSA-N
XLogP4.14
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid
CID 169077644
5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzamide
CID 169077913
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
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
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 155160592
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
(2S)-N-[2-fluoro-4-methyl-5-(5-morpholin-4-yl-6-morpholin-4-yloxy-3-pyridinyl)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 167395781
(3S)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155144936
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 155160630
(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 167395770
N-(1-tert-butyl-5-fluoropyrazol-4-yl)formamide;ethane;[7-(4-fluoro-2,5-dimethylphenyl)-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanetriol
CID 176697981
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155160569

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide (CID 176697967) is 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide is CCc1nc2cc(-c3cc(NC(=O)c4cnc(C56CC5C6)o4)c(F)cc3C)cc(N3CCOCC3)n2n1.
What is the InChIKey of 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RKBBFMDVYZQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-3-22-31-23-9-16(10-24(34(23)32-22)33-4-6-36-7-5-33)18-11-20(19(28)8-15(18)2)30-25(35)21-14-29-26(37-21)27-12-17(27)13-27/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,30,35).
What are the key properties of 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?
2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.0]butanyl)-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176697967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).