N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine

C18H13ClFN5 — CID 54670231

IUPACN-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1cc(Nc2ccnc3cn[nH]c23)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C18H13ClFN5/c1-10-6-12(24-15-4-5-21-17-9-22-25-18(15)17)8-16(23-10)13-7-11(19)2-3-14(13)20/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeyBKBLHXIPZZOADM-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.86
Rot. Bonds3

About N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54670231) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54670231
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1cc(Nc2ccnc3cn[nH]c23)cc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C18H13ClFN5/c1-10-6-12(24-15-4-5-21-17-9-22-25-18(15)17)8-16(23-10)13-7-11(19)2-3-14(13)20/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeyBKBLHXIPZZOADM-UHFFFAOYSA-N
XLogP4.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (CID 54670231) is N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is Cc1cc(Nc2ccnc3cn[nH]c23)cc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is BKBLHXIPZZOADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-10-6-12(24-15-4-5-21-17-9-22-25-18(15)17)8-16(23-10)13-7-11(19)2-3-14(13)20/h2-9H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 353.79 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54670231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).