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

C17H11ClFN5 — CID 54671064

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn[nH]c23)ccn1
InChIInChI=1S/C17H11ClFN5/c18-10-1-2-13(19)12(7-10)15-8-11(3-5-20-15)23-14-4-6-21-16-9-22-24-17(14)16/h1-9H,(H,22,24)(H,20,21,23)
InChIKeyHOLSCRKUHSHXQY-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.56
Rot. Bonds3

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

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671064) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671064
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn[nH]c23)ccn1
InChIInChI=1S/C17H11ClFN5/c18-10-1-2-13(19)12(7-10)15-8-11(3-5-20-15)23-14-4-6-21-16-9-22-24-17(14)16/h1-9H,(H,22,24)(H,20,21,23)
InChIKeyHOLSCRKUHSHXQY-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (CID 54671064) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn[nH]c23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is HOLSCRKUHSHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c18-10-1-2-13(19)12(7-10)15-8-11(3-5-20-15)23-14-4-6-21-16-9-22-24-17(14)16/h1-9H,(H,22,24)(H,20,21,23).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 339.76 g/mol, XLogP of 4.56, 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)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).