3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C18H17N5O2 — CID 134810242

IUPAC3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccn2)C3)cn1
InChIInChI=1S/C18H17N5O2/c1-25-16-6-5-12(9-20-16)18-14-8-17(24)23(11-15(14)21-22-18)10-13-4-2-3-7-19-13/h2-7,9H,8,10-11H2,1H3,(H,21,22)
InChIKeyLWLQJFZTGOYTKH-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.96
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810242) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810242
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccn2)C3)cn1
InChIInChI=1S/C18H17N5O2/c1-25-16-6-5-12(9-20-16)18-14-8-17(24)23(11-15(14)21-22-18)10-13-4-2-3-7-19-13/h2-7,9H,8,10-11H2,1H3,(H,21,22)
InChIKeyLWLQJFZTGOYTKH-UHFFFAOYSA-N
XLogP1.96
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810242) is 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccn2)C3)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is LWLQJFZTGOYTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-16-6-5-12(9-20-16)18-14-8-17(24)23(11-15(14)21-22-18)10-13-4-2-3-7-19-13/h2-7,9H,8,10-11H2,1H3,(H,21,22).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 335.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-6-(pyridin-2-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).