pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone

C24H27N5O — CID 155992225

About pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone

pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone (PubChem CID 155992225) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone.

Molecular Properties

• Compound Name: pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone
• PubChem CID: 155992225
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone
• SMILES: O=C(c1cccnc1)N1CCCCCCCNCc2cc(-c3cncnc3)ccc21
• InChI: InChI=1S/C24H27N5O/c30-24(20-7-6-11-26-14-20)29-12-5-3-1-2-4-10-25-15-21-13-19(8-9-23(21)29)22-16-27-18-28-17-22/h6-9,11,13-14,16-18,25H,1-5,10,12,15H2
• InChIKey: YINXVIWTKOBXQG-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone?

The IUPAC name of pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone (CID 155992225) is pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone.

What is the SMILES notation for pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone?

The canonical SMILES for pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone is O=C(c1cccnc1)N1CCCCCCCNCc2cc(-c3cncnc3)ccc21.

What is the InChIKey of pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone?

The InChIKey is YINXVIWTKOBXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(20-7-6-11-26-14-20)29-12-5-3-1-2-4-10-25-15-21-13-19(8-9-23(21)29)22-16-27-18-28-17-22/h6-9,11,13-14,16-18,25H,1-5,10,12,15H2.

What are the key properties of pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone?

pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone has a molecular weight of 401.51 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-3-yl-(14-pyrimidin-5-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl)methanone is sourced from PubChem (CID 155992225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).