[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

C24H25ClN6O2 — CID 176509584

IUPAC[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILES[2H]C1([2H])N(C(=O)O[C@H](C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2cnn3cc(-c4cnn(C)c4)ccc23)C1([2H])[2H]
InChIInChI=1S/C24H25ClN6O2/c1-17(18-3-6-21(25)7-4-18)33-24(32)30-11-9-29(10-12-30)23-14-27-31-16-19(5-8-22(23)31)20-13-26-28(2)15-20/h3-8,13-17H,9-12H2,1-2H3/t17-/m1/s1/i9D2,10D2,11D2,12D2
InChIKeyCTFRSOYNYGSADH-XXRCGIPCSA-N
MW473.01 g/mol
LogP4.41
Rot. Bonds4

About [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 176509584) has the molecular formula C24H25ClN6O2 and a molecular weight of 473.01 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID176509584
Molecular FormulaC24H25ClN6O2
Molecular Weight473.01 g/mol
Exact Mass472.22
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILES[2H]C1([2H])N(C(=O)O[C@H](C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2cnn3cc(-c4cnn(C)c4)ccc23)C1([2H])[2H]
InChIInChI=1S/C24H25ClN6O2/c1-17(18-3-6-21(25)7-4-18)33-24(32)30-11-9-29(10-12-30)23-14-27-31-16-19(5-8-22(23)31)20-13-26-28(2)15-20/h3-8,13-17H,9-12H2,1-2H3/t17-/m1/s1/i9D2,10D2,11D2,12D2
InChIKeyCTFRSOYNYGSADH-XXRCGIPCSA-N
XLogP4.41
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.01
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (CID 176509584) is [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is [2H]C1([2H])N(C(=O)O[C@H](C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2cnn3cc(-c4cnn(C)c4)ccc23)C1([2H])[2H].
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is CTFRSOYNYGSADH-XXRCGIPCSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-17(18-3-6-21(25)7-4-18)33-24(32)30-11-9-29(10-12-30)23-14-27-31-16-19(5-8-22(23)31)20-13-26-28(2)15-20/h3-8,13-17H,9-12H2,1-2H3/t17-/m1/s1/i9D2,10D2,11D2,12D2.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 473.01 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 176509584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).