3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine

C15H12N6 — CID 82043942

IUPAC3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(-c2cnc3ccccc3n2)c2ncc(N)cc12
InChIInChI=1S/C15H12N6/c1-9-11-6-10(16)7-18-15(11)21(20-9)14-8-17-12-4-2-3-5-13(12)19-14/h2-8H,16H2,1H3
InChIKeySIITVQGRXORXGV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.25
Rot. Bonds1

About 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine

3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 82043942) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID82043942
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(-c2cnc3ccccc3n2)c2ncc(N)cc12
InChIInChI=1S/C15H12N6/c1-9-11-6-10(16)7-18-15(11)21(20-9)14-8-17-12-4-2-3-5-13(12)19-14/h2-8H,16H2,1H3
InChIKeySIITVQGRXORXGV-UHFFFAOYSA-N
XLogP2.25
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine (CID 82043942) is 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(-c2cnc3ccccc3n2)c2ncc(N)cc12.
What is the InChIKey of 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is SIITVQGRXORXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-9-11-6-10(16)7-18-15(11)21(20-9)14-8-17-12-4-2-3-5-13(12)19-14/h2-8H,16H2,1H3.
What are the key properties of 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine?
3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 276.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 82043942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).