4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C20H21N3O3 — CID 171910479

IUPAC4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C20H21N3O3/c1-4-23-11-16-15(10-18(24)21-20(16)22-23)19-14-9-13(25-2)7-5-12(14)6-8-17(19)26-3/h5-9,11,15H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyNCNOIVRXDDYTNK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.55
Rot. Bonds4

About 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171910479) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171910479
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C20H21N3O3/c1-4-23-11-16-15(10-18(24)21-20(16)22-23)19-14-9-13(25-2)7-5-12(14)6-8-17(19)26-3/h5-9,11,15H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyNCNOIVRXDDYTNK-UHFFFAOYSA-N
XLogP3.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169422316
2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
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-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171915522
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(5S)-2-amino-5-(2,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557373
(5S)-5-(2,5-dimethoxyphenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622739
(5S)-5-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135880405
5-(2,5-dimethoxyphenyl)-1-methyl-2-[(4-methylphenyl)methylsulfanyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 6496352
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546802

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171910479) is 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCn1cc2c(n1)NC(=O)CC2c1c(OC)ccc2ccc(OC)cc12.
What is the InChIKey of 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is NCNOIVRXDDYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-23-11-16-15(10-18(24)21-20(16)22-23)19-14-9-13(25-2)7-5-12(14)6-8-17(19)26-3/h5-9,11,15H,4,10H2,1-3H3,(H,21,22,24).
What are the key properties of 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 351.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171910479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).