tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate

C26H34FN5O2 — CID 68653120

IUPACtert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate
SMILESCCC(NCc1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H34FN5O2/c1-5-23(18-7-6-12-31(17-18)25(33)34-26(2,3)4)29-14-19-13-28-16-24-22(19)15-30-32(24)21-10-8-20(27)9-11-21/h8-11,13,15-16,18,23,29H,5-7,12,14,17H2,1-4H3
InChIKeyZNKGRDMJZMSEDJ-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.07
Rot. Bonds6

About tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate

tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate (PubChem CID 68653120) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate
PubChem CID68653120
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Nametert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate
SMILESCCC(NCc1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H34FN5O2/c1-5-23(18-7-6-12-31(17-18)25(33)34-26(2,3)4)29-14-19-13-28-16-24-22(19)15-30-32(24)21-10-8-20(27)9-11-21/h8-11,13,15-16,18,23,29H,5-7,12,14,17H2,1-4H3
InChIKeyZNKGRDMJZMSEDJ-UHFFFAOYSA-N
XLogP5.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate (CID 68653120) is tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate is CCC(NCc1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate?
The InChIKey is ZNKGRDMJZMSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-5-23(18-7-6-12-31(17-18)25(33)34-26(2,3)4)29-14-19-13-28-16-24-22(19)15-30-32(24)21-10-8-20(27)9-11-21/h8-11,13,15-16,18,23,29H,5-7,12,14,17H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate has a molecular weight of 467.59 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]methylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 68653120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).