3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine

C21H24F3N5O — CID 92588669

IUPAC3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4NC)C3)noc2n1
InChIInChI=1S/C21H24F3N5O/c1-3-15-10-16(21(22,23)24)17-18(28-30-20(17)27-15)13-7-5-9-29(11-13)12-14-6-4-8-26-19(14)25-2/h4,6,8,10,13H,3,5,7,9,11-12H2,1-2H3,(H,25,26)/t13-/m1/s1
InChIKeyQLAOTCXUIXOEOA-CYBMUJFWSA-N
MW419.45 g/mol
LogP4.62
Rot. Bonds5

About 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 92588669) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID92588669
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4NC)C3)noc2n1
InChIInChI=1S/C21H24F3N5O/c1-3-15-10-16(21(22,23)24)17-18(28-30-20(17)27-15)13-7-5-9-29(11-13)12-14-6-4-8-26-19(14)25-2/h4,6,8,10,13H,3,5,7,9,11-12H2,1-2H3,(H,25,26)/t13-/m1/s1
InChIKeyQLAOTCXUIXOEOA-CYBMUJFWSA-N
XLogP4.62
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

3-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]-6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92588676
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
(2R)-1-[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 95850059
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 110235817
6-methyl-3-[(3R)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92601282
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92601256
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
1-[3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110243279
3-[(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-3-yl]-6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 92593920
5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806723

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 92588669) is 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine is CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4NC)C3)noc2n1.
What is the InChIKey of 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is QLAOTCXUIXOEOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-3-15-10-16(21(22,23)24)17-18(28-30-20(17)27-15)13-7-5-9-29(11-13)12-14-6-4-8-26-19(14)25-2/h4,6,8,10,13H,3,5,7,9,11-12H2,1-2H3,(H,25,26)/t13-/m1/s1.
What are the key properties of 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 419.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 92588669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).