2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C20H20N4O2 — CID 171915522

IUPAC2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-24-12-18-17(11-19(25)22-20(18)23-24)14-6-8-16(9-7-14)26-13-15-5-3-4-10-21-15/h3-10,12,17H,2,11,13H2,1H3,(H,22,23,25)
InChIKeyPEXWYBSMJREUJR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.35
Rot. Bonds5

About 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171915522) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171915522
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-24-12-18-17(11-19(25)22-20(18)23-24)14-6-8-16(9-7-14)26-13-15-5-3-4-10-21-15/h3-10,12,17H,2,11,13H2,1H3,(H,22,23,25)
InChIKeyPEXWYBSMJREUJR-UHFFFAOYSA-N
XLogP3.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169422316
2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910479
3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655065
2-benzyl-4-(2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169417150
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
4-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216555
(4S)-1,3-dimethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669758
(4R)-1,3-dimethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669757
4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171912336
2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171915522) is 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCn1cc2c(n1)NC(=O)CC2c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is PEXWYBSMJREUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-24-12-18-17(11-19(25)22-20(18)23-24)14-6-8-16(9-7-14)26-13-15-5-3-4-10-21-15/h3-10,12,17H,2,11,13H2,1H3,(H,22,23,25).
What are the key properties of 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 348.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171915522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).