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

C17H17Cl2N5 — CID 54346079

IUPAC3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5/c18-13-8-15(19)17(22-10-13)24-6-4-23(5-7-24)11-12-9-21-16-14(12)2-1-3-20-16/h1-3,8-10H,4-7,11H2,(H,20,21)
InChIKeyUCJZNDRHOUBTQQ-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.59
Rot. Bonds3

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

3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 54346079) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID54346079
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5/c18-13-8-15(19)17(22-10-13)24-6-4-23(5-7-24)11-12-9-21-16-14(12)2-1-3-20-16/h1-3,8-10H,4-7,11H2,(H,20,21)
InChIKeyUCJZNDRHOUBTQQ-UHFFFAOYSA-N
XLogP3.59
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 54346079) is 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Clc1cnc(N2CCN(Cc3c[nH]c4ncccc34)CC2)c(Cl)c1.
What is the InChIKey of 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UCJZNDRHOUBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c18-13-8-15(19)17(22-10-13)24-6-4-23(5-7-24)11-12-9-21-16-14(12)2-1-3-20-16/h1-3,8-10H,4-7,11H2,(H,20,21).
What are the key properties of 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 362.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 54346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).