4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

C16H12N4 — CID 141330351

IUPAC4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C16H12N4/c17-15-14-13(8-9-18-16(14)20-19-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H3,17,18,19,20)
InChIKeyNDHFGRSYCFZQMX-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.36
Rot. Bonds1

About 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141330351) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID141330351
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C16H12N4/c17-15-14-13(8-9-18-16(14)20-19-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H3,17,18,19,20)
InChIKeyNDHFGRSYCFZQMX-UHFFFAOYSA-N
XLogP3.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-ylpyridine-2,3-diamine
CID 174822585
4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 45078985
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
4-naphthalen-1-yl-1,6-naphthyridine
CID 166273330
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 141330351) is 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nccc(-c3cccc4ccccc34)c12.
What is the InChIKey of 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is NDHFGRSYCFZQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-15-14-13(8-9-18-16(14)20-19-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H3,17,18,19,20).
What are the key properties of 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 260.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141330351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).