(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

C22H23F3N6O2 — CID 145325340

IUPAC(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
SMILESCc1cc(N2C[C@H]3[C@H](Nc4nc5c(OCC6(C(F)(F)F)CC6)cccn5n4)[C@@H]4CC34C2)on1
InChIInChI=1S/C22H23F3N6O2/c1-12-7-16(33-29-12)30-9-14-17(13-8-21(13,14)10-30)26-19-27-18-15(3-2-6-31(18)28-19)32-11-20(4-5-20)22(23,24)25/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3,(H,26,28)/t13-,14-,17+,21?/m0/s1
InChIKeyFNRKBYUXKPTIOO-PVJFHNGQSA-N
MW460.46 g/mol
LogP3.68
Rot. Bonds6

About (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

(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 (PubChem CID 145325340) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145325340
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name(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
SMILESCc1cc(N2C[C@H]3[C@H](Nc4nc5c(OCC6(C(F)(F)F)CC6)cccn5n4)[C@@H]4CC34C2)on1
InChIInChI=1S/C22H23F3N6O2/c1-12-7-16(33-29-12)30-9-14-17(13-8-21(13,14)10-30)26-19-27-18-15(3-2-6-31(18)28-19)32-11-20(4-5-20)22(23,24)25/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3,(H,26,28)/t13-,14-,17+,21?/m0/s1
InChIKeyFNRKBYUXKPTIOO-PVJFHNGQSA-N
XLogP3.68
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

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
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
(5R,6S)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-[8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-azatricyclo[4.3.0.01,4]nonan-5-amine
CID 163844525
(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine
CID 126714213
N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 137379538
N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232013
N-[3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216536
N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216713
8-(2,2,3,3,3-pentafluoropropoxy)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216702
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-[(1S,5R)-3-(3-fluoro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232179
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(N2C[C@H]3[C@H](Nc4nc5c(OCC6(C(F)(F)F)CC6)cccn5n4)[C@@H]4CC34C2)on1.
What is the InChIKey of (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?
The InChIKey is FNRKBYUXKPTIOO-PVJFHNGQSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-12-7-16(33-29-12)30-9-14-17(13-8-21(13,14)10-30)26-19-27-18-15(3-2-6-31(18)28-19)32-11-20(4-5-20)22(23,24)25/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3,(H,26,28)/t13-,14-,17+,21?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 460.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145325340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).