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

C31H29F3N6O5 — CID 134496025

IUPAC6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)[C@H](OC)c3ccccc3)nc2)c2c(C#N)cnn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H28N6O3.C2HF3O2/c1-3-38-24-12-25(27-21(13-30)15-32-34(27)18-24)20-9-10-26(31-14-20)33-16-22-11-23(17-33)35(22)29(36)28(37-2)19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-10,12,14-15,18,22-23,28H,3,11,16-17H2,1-2H3;(H,6,7)/t22?,23?,28-;/m1./s1
InChIKeyGBYPIWDDSBTNLC-DQUQQTJXSA-N
MW622.60 g/mol
LogP4.48
Rot. Bonds7

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

6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 134496025) has the molecular formula C31H29F3N6O5 and a molecular weight of 622.60 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID134496025
Molecular FormulaC31H29F3N6O5
Molecular Weight622.60 g/mol
Exact Mass622.22
IUPAC Name6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)[C@H](OC)c3ccccc3)nc2)c2c(C#N)cnn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H28N6O3.C2HF3O2/c1-3-38-24-12-25(27-21(13-30)15-32-34(27)18-24)20-9-10-26(31-14-20)33-16-22-11-23(17-33)35(22)29(36)28(37-2)19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-10,12,14-15,18,22-23,28H,3,11,16-17H2,1-2H3;(H,6,7)/t22?,23?,28-;/m1./s1
InChIKeyGBYPIWDDSBTNLC-DQUQQTJXSA-N
XLogP4.48
TPSA133.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.60
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436551
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 134496039
tert-butyl 3-[5-(3-cyano-6-phenylmethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 162374027
[1-[3-cyano-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-yl] 2,2,2-trifluoroacetate
CID 134436552
[(3R,5S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]-methylcarbamic acid
CID 134497008
3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 134496017
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
[1-[3-cyano-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-yl] 2,2,2-trifluoroacetate;6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 158299969
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437142
4-[6-[6-(3-fluoropyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134497539
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435846
4-[6-[6-[(2S)-2-[bis(deuteriomethyl)amino]-4-methylpentanoyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 140872414

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 134496025) is 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is CCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)[C@H](OC)c3ccccc3)nc2)c2c(C#N)cnn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is GBYPIWDDSBTNLC-DQUQQTJXSA-N. The full InChI is InChI=1S/C29H28N6O3.C2HF3O2/c1-3-38-24-12-25(27-21(13-30)15-32-34(27)18-24)20-9-10-26(31-14-20)33-16-22-11-23(17-33)35(22)29(36)28(37-2)19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-10,12,14-15,18,22-23,28H,3,11,16-17H2,1-2H3;(H,6,7)/t22?,23?,28-;/m1./s1.
What are the key properties of 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 622.60 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[6-[(2R)-2-methoxy-2-phenylacetyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134496025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).