N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine

C23H22ClFN6 — CID 54671256

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCNCC4)nc23)ccn1
InChIInChI=1S/C23H22ClFN6/c24-16-1-2-19(25)18(11-16)21-12-17(5-9-27-21)29-20-6-10-28-22-14-31(30-23(20)22)13-15-3-7-26-8-4-15/h1-2,5-6,9-12,14-15,26H,3-4,7-8,13H2,(H,27,29)
InChIKeyQZJHLQYMHQMSIQ-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.03
Rot. Bonds5

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671256) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671256
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCNCC4)nc23)ccn1
InChIInChI=1S/C23H22ClFN6/c24-16-1-2-19(25)18(11-16)21-12-17(5-9-27-21)29-20-6-10-28-22-14-31(30-23(20)22)13-15-3-7-26-8-4-15/h1-2,5-6,9-12,14-15,26H,3-4,7-8,13H2,(H,27,29)
InChIKeyQZJHLQYMHQMSIQ-UHFFFAOYSA-N
XLogP5.03
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)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)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671256) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCNCC4)nc23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is QZJHLQYMHQMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c24-16-1-2-19(25)18(11-16)21-12-17(5-9-27-21)29-20-6-10-28-22-14-31(30-23(20)22)13-15-3-7-26-8-4-15/h1-2,5-6,9-12,14-15,26H,3-4,7-8,13H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 436.92 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).