propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

C22H26N4O5S — CID 127048479

IUPACpropan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2ncc3cc(Oc4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C22H26N4O5S/c1-15(2)30-22(27)25-10-8-17(9-11-25)26-20-14-23-21(12-16(20)13-24-26)31-18-4-6-19(7-5-18)32(3,28)29/h4-7,12-15,17H,8-11H2,1-3H3
InChIKeyOSJMPXDDQPBRNM-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.81
Rot. Bonds5

About propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 127048479) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID127048479
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Namepropan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2ncc3cc(Oc4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C22H26N4O5S/c1-15(2)30-22(27)25-10-8-17(9-11-25)26-20-14-23-21(12-16(20)13-24-26)31-18-4-6-19(7-5-18)32(3,28)29/h4-7,12-15,17H,8-11H2,1-3H3
InChIKeyOSJMPXDDQPBRNM-UHFFFAOYSA-N
XLogP3.81
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
propan-2-yl 4-[(1S)-1-[5-(2-fluoro-4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 24995896
propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985275
propan-2-yl 4-[3-(4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate
CID 143981454
propan-2-yl 4-[[methyl-[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-carboxylate
CID 71657468
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022689
propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44514107
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
propan-2-yl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11224943
propan-2-yl 4-[2-[(3S)-1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidin-3-yl]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 25066320

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (CID 127048479) is propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(n2ncc3cc(Oc4ccc(S(C)(=O)=O)cc4)ncc32)CC1.
What is the InChIKey of propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is OSJMPXDDQPBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-15(2)30-22(27)25-10-8-17(9-11-25)26-20-14-23-21(12-16(20)13-24-26)31-18-4-6-19(7-5-18)32(3,28)29/h4-7,12-15,17H,8-11H2,1-3H3.
What are the key properties of propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 458.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-(4-methylsulfonylphenoxy)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 127048479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).