2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one

C17H16N6O — CID 166837278

IUPAC2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCN(C)c1ccc(-n2cc3c(n2)CN(c2cccnc2)C3=O)cn1
InChIInChI=1S/C17H16N6O/c1-21(2)16-6-5-13(9-19-16)23-10-14-15(20-23)11-22(17(14)24)12-4-3-7-18-8-12/h3-10H,11H2,1-2H3
InChIKeyNSZVFKKNMPGEKZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.89
Rot. Bonds3

About 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one

2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166837278) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID166837278
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCN(C)c1ccc(-n2cc3c(n2)CN(c2cccnc2)C3=O)cn1
InChIInChI=1S/C17H16N6O/c1-21(2)16-6-5-13(9-19-16)23-10-14-15(20-23)11-22(17(14)24)12-4-3-7-18-8-12/h3-10H,11H2,1-2H3
InChIKeyNSZVFKKNMPGEKZ-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 166837278) is 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is CN(C)c1ccc(-n2cc3c(n2)CN(c2cccnc2)C3=O)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is NSZVFKKNMPGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-21(2)16-6-5-13(9-19-16)23-10-14-15(20-23)11-22(17(14)24)12-4-3-7-18-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 320.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166837278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).