3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C17H18ClN5 — CID 19958504

IUPAC3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C17H18ClN5/c18-14-3-4-16(20-11-14)23-8-6-22(7-9-23)12-13-10-21-17-15(13)2-1-5-19-17/h1-5,10-11H,6-9,12H2,(H,19,21)
InChIKeyUBEMJSVULKXJSP-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.93
Rot. Bonds3

About 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 19958504) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID19958504
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1
InChIInChI=1S/C17H18ClN5/c18-14-3-4-16(20-11-14)23-8-6-22(7-9-23)12-13-10-21-17-15(13)2-1-5-19-17/h1-5,10-11H,6-9,12H2,(H,19,21)
InChIKeyUBEMJSVULKXJSP-UHFFFAOYSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 19958504) is 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)nc1.
What is the InChIKey of 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UBEMJSVULKXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-14-3-4-16(20-11-14)23-8-6-22(7-9-23)12-13-10-21-17-15(13)2-1-5-19-17/h1-5,10-11H,6-9,12H2,(H,19,21).
What are the key properties of 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 327.82 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19958504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).