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

C37H38F6N10O5 — CID 126740418

IUPAC4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C6CCN(C)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C33H36N10O.2C2HF3O2/c1-39-9-7-29(8-10-39)42-23-28(20-37-42)26-15-30(33-27(16-34)19-38-43(33)22-26)25-4-5-31(35-18-25)41-13-11-40(12-14-41)21-24-3-6-32(44-2)36-17-24;2*3-2(4,5)1(6)7/h3-6,15,17-20,22-23,29H,7-14,21H2,1-2H3;2*(H,6,7)
InChIKeyRWDAAYRQZHTDDI-UHFFFAOYSA-N
MW816.76 g/mol
LogP5.39
Rot. Bonds7

About 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 126740418) has the molecular formula C37H38F6N10O5 and a molecular weight of 816.76 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
PubChem CID126740418
Molecular FormulaC37H38F6N10O5
Molecular Weight816.76 g/mol
Exact Mass816.29
IUPAC Name4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C6CCN(C)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C33H36N10O.2C2HF3O2/c1-39-9-7-29(8-10-39)42-23-28(20-37-42)26-15-30(33-27(16-34)19-38-43(33)22-26)25-4-5-31(35-18-25)41-13-11-40(12-14-41)21-24-3-6-32(44-2)36-17-24;2*3-2(4,5)1(6)7/h3-6,15,17-20,22-23,29H,7-14,21H2,1-2H3;2*(H,6,7)
InChIKeyRWDAAYRQZHTDDI-UHFFFAOYSA-N
XLogP5.39
TPSA178.24 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.76
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(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-[1-(1-methylpiperidin-4-yl)pyrazol-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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 126740418) is 4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-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-(1-methylpiperidin-4-yl)pyrazol-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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C6CCN(C)CC6)c5)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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RWDAAYRQZHTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N10O.2C2HF3O2/c1-39-9-7-29(8-10-39)42-23-28(20-37-42)26-15-30(33-27(16-34)19-38-43(33)22-26)25-4-5-31(35-18-25)41-13-11-40(12-14-41)21-24-3-6-32(44-2)36-17-24;2*3-2(4,5)1(6)7/h3-6,15,17-20,22-23,29H,7-14,21H2,1-2H3;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-(1-methylpiperidin-4-yl)pyrazol-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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 816.76 g/mol, XLogP of 5.39, 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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 126740418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).