N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline

C19H16N4 — CID 44542531

IUPACN-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
SMILESCNc1ccccc1-c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N4/c1-20-17-10-6-5-9-15(17)14-11-16-18(13-7-3-2-4-8-13)22-23-19(16)21-12-14/h2-12,20H,1H3,(H,21,22,23)
InChIKeyOCSVIFPMVVNOPS-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.33
Rot. Bonds3

About N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline

N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline (PubChem CID 44542531) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
PubChem CID44542531
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
SMILESCNc1ccccc1-c1cnc2n[nH]c(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N4/c1-20-17-10-6-5-9-15(17)14-11-16-18(13-7-3-2-4-8-13)22-23-19(16)21-12-14/h2-12,20H,1H3,(H,21,22,23)
InChIKeyOCSVIFPMVVNOPS-UHFFFAOYSA-N
XLogP4.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline?
The IUPAC name of N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline (CID 44542531) is N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline.
What is the SMILES notation for N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline?
The canonical SMILES for N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline is CNc1ccccc1-c1cnc2n[nH]c(-c3ccccc3)c2c1.
What is the InChIKey of N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline?
The InChIKey is OCSVIFPMVVNOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-20-17-10-6-5-9-15(17)14-11-16-18(13-7-3-2-4-8-13)22-23-19(16)21-12-14/h2-12,20H,1H3,(H,21,22,23).
What are the key properties of N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline?
N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline has a molecular weight of 300.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline is sourced from PubChem (CID 44542531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).