4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C33H32F6N10O5 — CID 155267136

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155267136) has the molecular formula C33H32F6N10O5 and a molecular weight of 762.67 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155267136
• Molecular Formula: C33H32F6N10O5
• Molecular Weight: 762.67 g/mol
• Exact Mass: 762.25
• IUPAC Name: 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cn(C(C)C)nn5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C29H30N10O.2C2HF3O2/c1-20(2)38-19-26(34-35-38)23-12-25(29-24(13-30)16-33-39(29)18-23)22-5-6-27(31-15-22)37-10-8-36(9-11-37)17-21-4-7-28(40-3)32-14-21;2*3-2(4,5)1(6)7/h4-7,12,14-16,18-20H,8-11,17H2,1-3H3;2*(H,6,7)
• InChIKey: YLJGEQDVXWRCGT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 187.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	762.67
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 155267136) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cn(C(C)C)nn5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is YLJGEQDVXWRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N10O.2C2HF3O2/c1-20(2)38-19-26(34-35-38)23-12-25(29-24(13-30)16-33-39(29)18-23)22-5-6-27(31-15-22)37-10-8-36(9-11-37)17-21-4-7-28(40-3)32-14-21;2*3-2(4,5)1(6)7/h4-7,12,14-16,18-20H,8-11,17H2,1-3H3;2*(H,6,7).

What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 762.67 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-propan-2-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).