propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

C21H25N5O4S — CID 127048481

IUPACpropan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)nc4)ncc32)CC1
InChIInChI=1S/C21H25N5O4S/c1-14(2)30-21(27)25-8-6-17(7-9-25)26-19-13-22-18(10-16(19)12-24-26)15-4-5-20(23-11-15)31(3,28)29/h4-5,10-14,17H,6-9H2,1-3H3
InChIKeyPCQXZDZJMWCAKJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.08
Rot. Bonds4

About propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 127048481) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID127048481
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Namepropan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)nc4)ncc32)CC1
InChIInChI=1S/C21H25N5O4S/c1-14(2)30-21(27)25-8-6-17(7-9-25)26-19-13-22-18(10-16(19)12-24-26)15-4-5-20(23-11-15)31(3,28)29/h4-5,10-14,17H,6-9H2,1-3H3
InChIKeyPCQXZDZJMWCAKJ-UHFFFAOYSA-N
XLogP3.08
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (CID 127048481) is propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)nc4)ncc32)CC1.
What is the InChIKey of propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is PCQXZDZJMWCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-14(2)30-21(27)25-8-6-17(7-9-25)26-19-13-22-18(10-16(19)12-24-26)15-4-5-20(23-11-15)31(3,28)29/h4-5,10-14,17H,6-9H2,1-3H3.
What are the key properties of propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
propan-2-yl 4-[5-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 443.53 g/mol, XLogP of 3.08, 4 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-(6-methylsulfonyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 127048481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).