N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

C24H20F3N5O — CID 66907447

About N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66907447) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66907447
• Molecular Formula: C24H20F3N5O
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.16
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccccc1
• InChI: InChI=1S/C24H20F3N5O/c25-24(26,27)18-11-17-12-20(32(22(17)29-13-18)15-16-5-2-1-3-6-16)23(33)30-19-7-8-21(28-14-19)31-9-4-10-31/h1-3,5-8,11-14H,4,9-10,15H2,(H,30,33)
• InChIKey: FSSIOLVLJXSPHV-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66907447) is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccccc1.

What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is FSSIOLVLJXSPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c25-24(26,27)18-11-17-12-20(32(22(17)29-13-18)15-16-5-2-1-3-6-16)23(33)30-19-7-8-21(28-14-19)31-9-4-10-31/h1-3,5-8,11-14H,4,9-10,15H2,(H,30,33).

What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66907447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).