1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one

C24H29N7O — CID 166003276

About 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one

1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one (PubChem CID 166003276) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one.

Molecular Properties

• Compound Name: 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one
• PubChem CID: 166003276
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one
• SMILES: O=C(CCNCc1cccc2ncnn12)N1CC2CCC(C1)N2c1ccc(C2CC2)cn1
• InChI: InChI=1S/C24H29N7O/c32-24(10-11-25-13-19-2-1-3-23-27-16-28-31(19)23)29-14-20-7-8-21(15-29)30(20)22-9-6-18(12-26-22)17-4-5-17/h1-3,6,9,12,16-17,20-21,25H,4-5,7-8,10-11,13-15H2
• InChIKey: HLZAVPQGIDEMFT-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?

The IUPAC name of 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one (CID 166003276) is 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one.

What is the SMILES notation for 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?

The canonical SMILES for 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one is O=C(CCNCc1cccc2ncnn12)N1CC2CCC(C1)N2c1ccc(C2CC2)cn1.

What is the InChIKey of 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?

The InChIKey is HLZAVPQGIDEMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c32-24(10-11-25-13-19-2-1-3-23-27-16-28-31(19)23)29-14-20-7-8-21(15-29)30(20)22-9-6-18(12-26-22)17-4-5-17/h1-3,6,9,12,16-17,20-21,25H,4-5,7-8,10-11,13-15H2.

What are the key properties of 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one?

1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one has a molecular weight of 431.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(5-cyclopropyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)propan-1-one is sourced from PubChem (CID 166003276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).