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

C11H8ClN5 — CID 53373661

IUPACN-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1ccc(Nc2n[nH]c3cccnc23)cn1
InChIInChI=1S/C11H8ClN5/c12-9-4-3-7(6-14-9)15-11-10-8(16-17-11)2-1-5-13-10/h1-6H,(H2,15,16,17)
InChIKeyTZNIMYAKTXVPNF-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.75
Rot. Bonds2

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

N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53373661) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53373661
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC NameN-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1ccc(Nc2n[nH]c3cccnc23)cn1
InChIInChI=1S/C11H8ClN5/c12-9-4-3-7(6-14-9)15-11-10-8(16-17-11)2-1-5-13-10/h1-6H,(H2,15,16,17)
InChIKeyTZNIMYAKTXVPNF-UHFFFAOYSA-N
XLogP2.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.75
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 N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53373661) is N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Clc1ccc(Nc2n[nH]c3cccnc23)cn1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is TZNIMYAKTXVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-9-4-3-7(6-14-9)15-11-10-8(16-17-11)2-1-5-13-10/h1-6H,(H2,15,16,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 245.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53373661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).