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

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

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Related Compounds

CID 25151352
CID 25151352
CID 5311200
CID 5311200
CID 17751819
CID 17751819
CID 73053710
CID 73053710
CID 6603897
CID 6603897
CID 11675388
CID 11675388
CID 49843482
CID 49843482
CID 11696113
CID 11696113
CID 24762195
CID 24762195
CID 11702853
CID 11702853
CID 11995746
CID 11995746
CID 57598054
CID 57598054

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).