5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

C16H19N5 — CID 166625945

IUPAC5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(C4CCCNC4)c3c2)cn1
InChIInChI=1S/C16H19N5/c1-21-10-13(8-20-21)12-5-14-15(9-19-16(14)18-7-12)11-3-2-4-17-6-11/h5,7-11,17H,2-4,6H2,1H3,(H,18,19)
InChIKeyARUXWFMFDVGTBM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166625945) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID166625945
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(C4CCCNC4)c3c2)cn1
InChIInChI=1S/C16H19N5/c1-21-10-13(8-20-21)12-5-14-15(9-19-16(14)18-7-12)11-3-2-4-17-6-11/h5,7-11,17H,2-4,6H2,1H3,(H,18,19)
InChIKeyARUXWFMFDVGTBM-UHFFFAOYSA-N
XLogP2.43
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 166625945) is 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(C4CCCNC4)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ARUXWFMFDVGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-21-10-13(8-20-21)12-5-14-15(9-19-16(14)18-7-12)11-3-2-4-17-6-11/h5,7-11,17H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 281.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166625945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).