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

C16H19N5 — CID 145387413

IUPAC1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESc1n[nH]cc1-c1cnc2c(ccn2CC2CCNCC2)c1
InChIInChI=1S/C16H19N5/c1-4-17-5-2-12(1)11-21-6-3-13-7-14(8-18-16(13)21)15-9-19-20-10-15/h3,6-10,12,17H,1-2,4-5,11H2,(H,19,20)
InChIKeyUVSGSAUDTZOKIQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.43
Rot. Bonds3

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

1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 145387413) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID145387413
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESc1n[nH]cc1-c1cnc2c(ccn2CC2CCNCC2)c1
InChIInChI=1S/C16H19N5/c1-4-17-5-2-12(1)11-21-6-3-13-7-14(8-18-16(13)21)15-9-19-20-10-15/h3,6-10,12,17H,1-2,4-5,11H2,(H,19,20)
InChIKeyUVSGSAUDTZOKIQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 145387413) is 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is c1n[nH]cc1-c1cnc2c(ccn2CC2CCNCC2)c1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is UVSGSAUDTZOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-17-5-2-12(1)11-21-6-3-13-7-14(8-18-16(13)21)15-9-19-20-10-15/h3,6-10,12,17H,1-2,4-5,11H2,(H,19,20).
What are the key properties of 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 281.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145387413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).