6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C37H35F6N9O6 — CID 126740475

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 126740475) has the molecular formula C37H35F6N9O6 and a molecular weight of 815.73 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 126740475
• Molecular Formula: C37H35F6N9O6
• Molecular Weight: 815.73 g/mol
• Exact Mass: 815.26
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C33H33N9O2.2C2HF3O2/c1-38-22-28(21-36-38)26-17-29(31-27(18-34)20-37-42(31)23-26)25-7-8-30(35-19-25)39-9-11-41(12-10-39)33(43)32(24-5-3-2-4-6-24)40-13-15-44-16-14-40;2*3-2(4,5)1(6)7/h2-8,17,19-23,32H,9-16H2,1H3;2*(H,6,7)
• InChIKey: TXUYMXMYHSJGTJ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 182.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.73
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 126740475) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCOCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is TXUYMXMYHSJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N9O2.2C2HF3O2/c1-38-22-28(21-36-38)26-17-29(31-27(18-34)20-37-42(31)23-26)25-7-8-30(35-19-25)39-9-11-41(12-10-39)33(43)32(24-5-3-2-4-6-24)40-13-15-44-16-14-40;2*3-2(4,5)1(6)7/h2-8,17,19-23,32H,9-16H2,1H3;2*(H,6,7).

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 815.73 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-morpholin-4-yl-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 126740475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).