2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol

C27H26F3N7O — CID 155214024

About 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol

2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol (PubChem CID 155214024) has the molecular formula C27H26F3N7O and a molecular weight of 521.55 g/mol. Its IUPAC name is 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
• PubChem CID: 155214024
• Molecular Formula: C27H26F3N7O
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.22
• IUPAC Name: 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
• SMILES: CCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3cccc(C(C)(C)O)c3)c3nc(N)nn3c2)cn1
• InChI: InChI=1S/C27H26F3N7O/c1-4-22(17-8-9-23(32-12-17)27(28,29)30)36-15-19(13-33-36)18-11-21(24-34-25(31)35-37(24)14-18)16-6-5-7-20(10-16)26(2,3)38/h5-15,22,38H,4H2,1-3H3,(H2,31,35)
• InChIKey: ARDIHKBPBYUZIP-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 107.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?

The IUPAC name of 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol (CID 155214024) is 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?

The canonical SMILES for 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol is CCC(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3cccc(C(C)(C)O)c3)c3nc(N)nn3c2)cn1.

What is the InChIKey of 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?

The InChIKey is ARDIHKBPBYUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O/c1-4-22(17-8-9-23(32-12-17)27(28,29)30)36-15-19(13-33-36)18-11-21(24-34-25(31)35-37(24)14-18)16-6-5-7-20(10-16)26(2,3)38/h5-15,22,38H,4H2,1-3H3,(H2,31,35).

What are the key properties of 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?

2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol has a molecular weight of 521.55 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-amino-6-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol is sourced from PubChem (CID 155214024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).