3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine

C17H11Cl2N3 — CID 157274567

IUPAC3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
SMILESClc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12
InChIInChI=1S/C17H11Cl2N3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22)
InChIKeyNDMOBOOLSAFHHE-UHFFFAOYSA-N
MW328.20 g/mol
LogP5.01
Rot. Bonds2

About 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine

3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine (PubChem CID 157274567) has the molecular formula C17H11Cl2N3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
PubChem CID157274567
Molecular FormulaC17H11Cl2N3
Molecular Weight328.20 g/mol
Exact Mass327.03
IUPAC Name3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
SMILESClc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12
InChIInChI=1S/C17H11Cl2N3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22)
InChIKeyNDMOBOOLSAFHHE-UHFFFAOYSA-N
XLogP5.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine (CID 157274567) is 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine is Clc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12.
What is the InChIKey of 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is NDMOBOOLSAFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22).
What are the key properties of 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 328.20 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 157274567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).