6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C34H34F6N8O6 — CID 134497531

IUPAC6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H32N8O2.2C2HF3O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38;2*3-2(4,5)1(6)7/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3;2*(H,6,7)
InChIKeyWLEUQODJRPOIHI-UHFFFAOYSA-N
MW764.68 g/mol
LogP4.39
Rot. Bonds9

About 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 134497531) has the molecular formula C34H34F6N8O6 and a molecular weight of 764.68 g/mol. Its IUPAC name is 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
PubChem CID134497531
Molecular FormulaC34H34F6N8O6
Molecular Weight764.68 g/mol
Exact Mass764.25
IUPAC Name6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H32N8O2.2C2HF3O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38;2*3-2(4,5)1(6)7/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3;2*(H,6,7)
InChIKeyWLEUQODJRPOIHI-UHFFFAOYSA-N
XLogP4.39
TPSA178.44 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.68
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]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 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 134497531) is 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCC5CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WLEUQODJRPOIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2.2C2HF3O2/c1-39-29-5-2-21(13-34-29)16-37-24-8-25(37)18-36(17-24)28-4-3-22(14-33-28)27-9-26(40-7-6-20-11-32-12-20)19-38-30(27)23(10-31)15-35-38;2*3-2(4,5)1(6)7/h2-5,9,13-15,19-20,24-25,32H,6-8,11-12,16-18H2,1H3;2*(H,6,7).
What are the key properties of 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 764.68 g/mol, XLogP of 4.39, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-3-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 134497531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).