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

C32H35F3N8O5 — CID 134496077

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OC[C@@H]5CN[C@H](C)CO5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H34N8O3.C2HF3O2/c1-21-19-40-26(16-32-21)20-41-25-11-27(30-24(12-31)15-35-38(30)18-25)23-4-5-28(33-14-23)37-9-7-36(8-10-37)17-22-3-6-29(39-2)34-13-22;3-2(4,5)1(6)7/h3-6,11,13-15,18,21,26,32H,7-10,16-17,19-20H2,1-2H3;(H,6,7)/t21-,26+;/m1./s1
InChIKeyAVTKZBLNYKOTSU-YEVDRUJESA-N
MW668.68 g/mol
LogP3.38
Rot. Bonds8

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

4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 134496077) has the molecular formula C32H35F3N8O5 and a molecular weight of 668.68 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID134496077
Molecular FormulaC32H35F3N8O5
Molecular Weight668.68 g/mol
Exact Mass668.27
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OC[C@@H]5CN[C@H](C)CO5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H34N8O3.C2HF3O2/c1-21-19-40-26(16-32-21)20-41-25-11-27(30-24(12-31)15-35-38(30)18-25)23-4-5-28(33-14-23)37-9-7-36(8-10-37)17-22-3-6-29(39-2)34-13-22;3-2(4,5)1(6)7/h3-6,11,13-15,18,21,26,32H,7-10,16-17,19-20H2,1-2H3;(H,6,7)/t21-,26+;/m1./s1
InChIKeyAVTKZBLNYKOTSU-YEVDRUJESA-N
XLogP3.38
TPSA150.37 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.68
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 134496077) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;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-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is COc1ccc(CN2CCN(c3ccc(-c4cc(OC[C@@H]5CN[C@H](C)CO5)cn5ncc(C#N)c45)cn3)CC2)cn1.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-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is AVTKZBLNYKOTSU-YEVDRUJESA-N. The full InChI is InChI=1S/C30H34N8O3.C2HF3O2/c1-21-19-40-26(16-32-21)20-41-25-11-27(30-24(12-31)15-35-38(30)18-25)23-4-5-28(33-14-23)37-9-7-36(8-10-37)17-22-3-6-29(39-2)34-13-22;3-2(4,5)1(6)7/h3-6,11,13-15,18,21,26,32H,7-10,16-17,19-20H2,1-2H3;(H,6,7)/t21-,26+;/m1./s1.
What are the key properties of 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 668.68 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 12 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-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134496077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).