N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H24F6N6O2 — CID 147976330

IUPACN-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC[C@@H]1C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1
InChIInChI=1S/C22H24F6N6O2/c1-4-12-13-8-33(17-7-10(2)32-36-17)9-14(13)18(12)29-20-30-19-15(35-11(3)21(23,24)25)5-6-16(22(26,27)28)34(19)31-20/h5-7,11-14,18H,4,8-9H2,1-3H3,(H,29,31)/t11?,12-,13?,14-,18-/m1/s1
InChIKeyISISSFCTWDECLT-WSJPUETASA-N
MW518.46 g/mol
LogP4.95
Rot. Bonds6

About N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 147976330) has the molecular formula C22H24F6N6O2 and a molecular weight of 518.46 g/mol. Its IUPAC name is N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID147976330
Molecular FormulaC22H24F6N6O2
Molecular Weight518.46 g/mol
Exact Mass518.19
IUPAC NameN-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC[C@@H]1C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1
InChIInChI=1S/C22H24F6N6O2/c1-4-12-13-8-33(17-7-10(2)32-36-17)9-14(13)18(12)29-20-30-19-15(35-11(3)21(23,24)25)5-6-16(22(26,27)28)34(19)31-20/h5-7,11-14,18H,4,8-9H2,1-3H3,(H,29,31)/t11?,12-,13?,14-,18-/m1/s1
InChIKeyISISSFCTWDECLT-WSJPUETASA-N
XLogP4.95
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

N-[3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216744
N-[(5S)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 146383622
N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216657
N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216653
N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129233092
(1S,5R)-8-ethenyl-8-[[5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-azabicyclo[3.2.1]octane-3-carbonitrile
CID 129232896
N-[(1S,5R)-3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2-difluoroethoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232570
7-ethyl-N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-1-methyl-1,2,4-triazol-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-amine
CID 163564971
N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232631
tert-butyl (1S,5R)-8-[[8-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 146383642
2-[2-[[(1R,5S)-3-(6-methylpyrimidin-4-yl)-3-azatricyclo[3.2.1.02,4]octan-8-yl]amino]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-2-ol
CID 162620699
(3R,4R,5S)-7-(3-methyl-1,2-oxazol-5-yl)-N-[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-7-azatricyclo[3.3.0.01,3]octan-4-amine
CID 145325340

Frequently Asked Questions

What is the IUPAC name of N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 147976330) is N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC[C@@H]1C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ISISSFCTWDECLT-WSJPUETASA-N. The full InChI is InChI=1S/C22H24F6N6O2/c1-4-12-13-8-33(17-7-10(2)32-36-17)9-14(13)18(12)29-20-30-19-15(35-11(3)21(23,24)25)5-6-16(22(26,27)28)34(19)31-20/h5-7,11-14,18H,4,8-9H2,1-3H3,(H,29,31)/t11?,12-,13?,14-,18-/m1/s1.
What are the key properties of N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 518.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6R,7R)-7-ethyl-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 147976330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).