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

C13H11ClN4 — CID 53374310

IUPACN-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1ccc(Cl)cc1Nc1n[nH]c2cccnc12
InChIInChI=1S/C13H11ClN4/c1-8-4-5-9(14)7-11(8)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyNJGYKSQVIYNJPM-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.66
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374310) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374310
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1ccc(Cl)cc1Nc1n[nH]c2cccnc12
InChIInChI=1S/C13H11ClN4/c1-8-4-5-9(14)7-11(8)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyNJGYKSQVIYNJPM-UHFFFAOYSA-N
XLogP3.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374310) is N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1ccc(Cl)cc1Nc1n[nH]c2cccnc12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is NJGYKSQVIYNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-4-5-9(14)7-11(8)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 258.71 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).