(5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H22F3N5O — CID 118876805

About (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118876805) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 118876805
• Molecular Formula: C24H22F3N5O
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.18
• IUPAC Name: (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1cnc(-c2ccccn2)c(C(=O)N2C[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@@H]2C3)c1
• InChI: InChI=1S/C24H22F3N5O/c1-14-8-17(22(30-11-14)18-4-2-3-7-28-18)23(33)32-13-15-9-19(20(32)10-15)31-21-6-5-16(12-29-21)24(25,26)27/h2-8,11-12,15,19-20H,9-10,13H2,1H3,(H,29,31)/t15-,19+,20-/m0/s1
• InChIKey: YDRJMEJNXRWGHZ-BEVDRBHNSA-N
• XLogP: 4.58
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118876805) is (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cnc(-c2ccccn2)c(C(=O)N2C[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@@H]2C3)c1.

What is the InChIKey of (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is YDRJMEJNXRWGHZ-BEVDRBHNSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-14-8-17(22(30-11-14)18-4-2-3-7-28-18)23(33)32-13-15-9-19(20(32)10-15)31-21-6-5-16(12-29-21)24(25,26)27/h2-8,11-12,15,19-20H,9-10,13H2,1H3,(H,29,31)/t15-,19+,20-/m0/s1.

What are the key properties of (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

(5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 453.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-pyridin-2-yl-3-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118876805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).