1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C15H10ClN5 — CID 134191539

IUPAC1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESClc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H10ClN5/c16-14-11-4-3-10(8-9(11)5-7-18-14)19-15-13-12(20-21-15)2-1-6-17-13/h1-8H,(H2,19,20,21)
InChIKeyVUGIATVGPBSQNG-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.90
Rot. Bonds2

About 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191539) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID134191539
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
SMILESClc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H10ClN5/c16-14-11-4-3-10(8-9(11)5-7-18-14)19-15-13-12(20-21-15)2-1-6-17-13/h1-8H,(H2,19,20,21)
InChIKeyVUGIATVGPBSQNG-UHFFFAOYSA-N
XLogP3.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191539) is 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is Clc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is VUGIATVGPBSQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-14-11-4-3-10(8-9(11)5-7-18-14)19-15-13-12(20-21-15)2-1-6-17-13/h1-8H,(H2,19,20,21).
What are the key properties of 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?
1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 295.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).