tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate

C26H34FN5O2 — CID 68653119

IUPACtert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate
SMILESCCC(Nc1ncc(C)c2cnn(-c3ccc(F)cc3)c12)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H34FN5O2/c1-6-22(18-8-7-13-31(16-18)25(33)34-26(3,4)5)30-24-23-21(17(2)14-28-24)15-29-32(23)20-11-9-19(27)10-12-20/h9-12,14-15,18,22H,6-8,13,16H2,1-5H3,(H,28,30)
InChIKeyRSUKXXBYYKSZDU-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.71
Rot. Bonds5

About tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate

tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate (PubChem CID 68653119) 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)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate
PubChem CID68653119
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Nametert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate
SMILESCCC(Nc1ncc(C)c2cnn(-c3ccc(F)cc3)c12)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H34FN5O2/c1-6-22(18-8-7-13-31(16-18)25(33)34-26(3,4)5)30-24-23-21(17(2)14-28-24)15-29-32(23)20-11-9-19(27)10-12-20/h9-12,14-15,18,22H,6-8,13,16H2,1-5H3,(H,28,30)
InChIKeyRSUKXXBYYKSZDU-UHFFFAOYSA-N
XLogP5.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.71
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)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate (CID 68653119) is tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate is CCC(Nc1ncc(C)c2cnn(-c3ccc(F)cc3)c12)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate?
The InChIKey is RSUKXXBYYKSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-6-22(18-8-7-13-31(16-18)25(33)34-26(3,4)5)30-24-23-21(17(2)14-28-24)15-29-32(23)20-11-9-19(27)10-12-20/h9-12,14-15,18,22H,6-8,13,16H2,1-5H3,(H,28,30).
What are the key properties of tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[[1-(4-fluorophenyl)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate has a molecular weight of 467.59 g/mol, XLogP of 5.71, 5 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)-4-methylpyrazolo[5,4-c]pyridin-7-yl]amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 68653119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).