(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one

C23H26F3N5O3 — CID 170784955

IUPAC(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1CO[C@H]2CCN(C(=O)N3CC4(CC(Cc5ccc6cnc(C(F)(F)F)n6c5)C4)C3)C[C@H]2N1
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)20-27-8-16-2-1-14(9-31(16)20)5-15-6-22(7-15)12-30(13-22)21(33)29-4-3-18-17(10-29)28-19(32)11-34-18/h1-2,8-9,15,17-18H,3-7,10-13H2,(H,28,32)/t17-,18+/m1/s1
InChIKeyKURBXPHYKNKSQO-MSOLQXFVSA-N
MW477.49 g/mol
LogP2.32
Rot. Bonds2

About (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one

(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 170784955) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
PubChem CID170784955
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Name(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
SMILESO=C1CO[C@H]2CCN(C(=O)N3CC4(CC(Cc5ccc6cnc(C(F)(F)F)n6c5)C4)C3)C[C@H]2N1
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)20-27-8-16-2-1-14(9-31(16)20)5-15-6-22(7-15)12-30(13-22)21(33)29-4-3-18-17(10-29)28-19(32)11-34-18/h1-2,8-9,15,17-18H,3-7,10-13H2,(H,28,32)/t17-,18+/m1/s1
InChIKeyKURBXPHYKNKSQO-MSOLQXFVSA-N
XLogP2.32
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one with MolForge

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Related Compounds

1-morpholino-N-(2,2,2-trifluoro-1-(pyridin-3-yl)ethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 54581169
US10071974, Example 100
CID 121346569
US10071974, Example 101
CID 121346585
US10071974, Example 104
CID 121346557
US10071974, Example 112
CID 121346560
US10071974, Example 102
CID 121346568
US10071974, Example 95
CID 121346668
1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023630
1-(morpholin-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023631
(R)-N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)-2-(pyrrolidin-3-yloxy)acetamide
CID 59251910
N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)-2-(piperidin-4-yloxy)acetamide
CID 59251932
N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)-2-(1-ethylpiperidin-4-yloxy)acetamide
CID 59251981

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one (CID 170784955) is (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one is O=C1CO[C@H]2CCN(C(=O)N3CC4(CC(Cc5ccc6cnc(C(F)(F)F)n6c5)C4)C3)C[C@H]2N1.
What is the InChIKey of (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is KURBXPHYKNKSQO-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c24-23(25,26)20-27-8-16-2-1-14(9-31(16)20)5-15-6-22(7-15)12-30(13-22)21(33)29-4-3-18-17(10-29)28-19(32)11-34-18/h1-2,8-9,15,17-18H,3-7,10-13H2,(H,28,32)/t17-,18+/m1/s1.
What are the key properties of (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one?
(4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 477.49 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-[6-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 170784955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).