[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

C24H25ClN6O2 — CID 175885235

IUPAC[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILES[2H]c1c([2H])c(C(OC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)C([2H])([2H])[2H])c([2H])c([2H])c1Cl
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/i1D3,3D,4D,6D,7D
InChIKeyCTFRSOYNYGSADH-FFQSSJIFSA-N
MW472.00 g/mol
LogP4.41
Rot. Bonds5

About [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 175885235) has the molecular formula C24H25ClN6O2 and a molecular weight of 472.00 g/mol. Its IUPAC name is [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID175885235
Molecular FormulaC24H25ClN6O2
Molecular Weight472.00 g/mol
Exact Mass471.22
IUPAC Name[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILES[2H]c1c([2H])c(C(OC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)C([2H])([2H])[2H])c([2H])c([2H])c1Cl
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/i1D3,3D,4D,6D,7D
InChIKeyCTFRSOYNYGSADH-FFQSSJIFSA-N
XLogP4.41
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.00
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-(3,5-dichlorophenyl)-1'-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402297
Fidrisertib
CID 132026427
4-[(4-Chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylpyrazolo[1,5-a]pyridin-5-yl)pyridin-2-one
CID 127028868
[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264030
[(1R)-1-(2-fluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264041
1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264202
[(1R)-1-(3,4-difluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264252
[(1S)-2,2,2-trifluoro-1-phenylethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264386
[(1R)-1-(3-fluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264548
6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine
CID 164632230
6-(1-benzyl-1H-pyrazol-4-yl)-1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[3,2-b]pyridine
CID 46235051
1-[(4-Chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532410

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (CID 175885235) is [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is [2H]c1c([2H])c(C(OC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)C([2H])([2H])[2H])c([2H])c([2H])c1Cl.
What is the InChIKey of [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is CTFRSOYNYGSADH-FFQSSJIFSA-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/i1D3,3D,4D,6D,7D.
What are the key properties of [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
[1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 472.00 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 175885235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).