2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile

C17H15F2N7 — CID 146369759

About 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile

2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 146369759) has the molecular formula C17H15F2N7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile
• PubChem CID: 146369759
• Molecular Formula: C17H15F2N7
• Molecular Weight: 355.35 g/mol
• Exact Mass: 355.14
• IUPAC Name: 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile
• SMILES: N#Cc1ccnc(N2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)c1
• InChI: InChI=1S/C17H15F2N7/c18-16(19)13-7-14(26-17(24-13)22-10-23-26)12-2-1-5-25(9-12)15-6-11(8-20)3-4-21-15/h3-4,6-7,10,12,16H,1-2,5,9H2/t12-/m0/s1
• InChIKey: ZJLVOQGPDNGAAO-LBPRGKRZSA-N
• XLogP: 2.71
• TPSA: 83.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.35
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile?

The IUPAC name of 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile (CID 146369759) is 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile?

The canonical SMILES for 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC[C@H](c3cc(C(F)F)nc4ncnn34)C2)c1.

What is the InChIKey of 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile?

The InChIKey is ZJLVOQGPDNGAAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F2N7/c18-16(19)13-7-14(26-17(24-13)22-10-23-26)12-2-1-5-25(9-12)15-6-11(8-20)3-4-21-15/h3-4,6-7,10,12,16H,1-2,5,9H2/t12-/m0/s1.

What are the key properties of 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile?

2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 355.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 146369759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).