1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol

C20H19N7O2 — CID 72714577

IUPAC1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)C(O)C3)n2)n1
InChIInChI=1S/C20H19N7O2/c1-12-6-21-9-15(24-12)14-5-16-13(7-22-14)8-23-27(16)20-4-2-3-19(25-20)26-10-17(28)18(29)11-26/h2-9,17-18,28-29H,10-11H2,1H3
InChIKeyVDJIRBSRWJZSCK-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.12
Rot. Bonds3

About 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol

1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 72714577) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
PubChem CID72714577
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)C(O)C3)n2)n1
InChIInChI=1S/C20H19N7O2/c1-12-6-21-9-15(24-12)14-5-16-13(7-22-14)8-23-27(16)20-4-2-3-19(25-20)26-10-17(28)18(29)11-26/h2-9,17-18,28-29H,10-11H2,1H3
InChIKeyVDJIRBSRWJZSCK-UHFFFAOYSA-N
XLogP1.12
TPSA113.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol (CID 72714577) is 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)C(O)C3)n2)n1.
What is the InChIKey of 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is VDJIRBSRWJZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-6-21-9-15(24-12)14-5-16-13(7-22-14)8-23-27(16)20-4-2-3-19(25-20)26-10-17(28)18(29)11-26/h2-9,17-18,28-29H,10-11H2,1H3.
What are the key properties of 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol?
1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 389.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 72714577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).