[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C24H24F3N5O2 — CID 46219305

IUPAC[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(-c2ncc(C)o2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C24H24F3N5O2/c1-13-3-5-19(22-30-9-14(2)34-22)21(31-13)23(33)32-12-16-7-15(16)8-18(32)11-29-20-6-4-17(10-28-20)24(25,26)27/h3-6,9-10,15-16,18H,7-8,11-12H2,1-2H3,(H,28,29)/t15-,16+,18+/m1/s1
InChIKeyNKFBFFQUAGZTJQ-RYRKJORJSA-N
MW471.48 g/mol
LogP4.73
Rot. Bonds5

About [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 46219305) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID46219305
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(-c2ncc(C)o2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C24H24F3N5O2/c1-13-3-5-19(22-30-9-14(2)34-22)21(31-13)23(33)32-12-16-7-15(16)8-18(32)11-29-20-6-4-17(10-28-20)24(25,26)27/h3-6,9-10,15-16,18H,7-8,11-12H2,1-2H3,(H,28,29)/t15-,16+,18+/m1/s1
InChIKeyNKFBFFQUAGZTJQ-RYRKJORJSA-N
XLogP4.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 46219305) is [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(-c2ncc(C)o2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is NKFBFFQUAGZTJQ-RYRKJORJSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-13-3-5-19(22-30-9-14(2)34-22)21(31-13)23(33)32-12-16-7-15(16)8-18(32)11-29-20-6-4-17(10-28-20)24(25,26)27/h3-6,9-10,15-16,18H,7-8,11-12H2,1-2H3,(H,28,29)/t15-,16+,18+/m1/s1.
What are the key properties of [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 471.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 46219305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).