tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate

C26H32FN5O3 — CID 59278288

IUPACtert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32FN5O3/c1-5-22(17-10-12-31(13-11-17)25(34)35-26(2,3)4)30-24(33)21-14-28-16-23-20(21)15-29-32(23)19-8-6-18(27)7-9-19/h6-9,14-17,22H,5,10-13H2,1-4H3,(H,30,33)
InChIKeyCXNSSDVWOJFHGJ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.72
Rot. Bonds5

About tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate

tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate (PubChem CID 59278288) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate
PubChem CID59278288
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC Nametert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H32FN5O3/c1-5-22(17-10-12-31(13-11-17)25(34)35-26(2,3)4)30-24(33)21-14-28-16-23-20(21)15-29-32(23)19-8-6-18(27)7-9-19/h6-9,14-17,22H,5,10-13H2,1-4H3,(H,30,33)
InChIKeyCXNSSDVWOJFHGJ-UHFFFAOYSA-N
XLogP4.72
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate (CID 59278288) is tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate?
The InChIKey is CXNSSDVWOJFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-5-22(17-10-12-31(13-11-17)25(34)35-26(2,3)4)30-24(33)21-14-28-16-23-20(21)15-29-32(23)19-8-6-18(27)7-9-19/h6-9,14-17,22H,5,10-13H2,1-4H3,(H,30,33).
What are the key properties of tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate?
tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate has a molecular weight of 481.57 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 59278288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).