1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone

C23H21N3O2 — CID 159423377

IUPAC1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCc1c(OCc2ccccc2)cccc1C(=O)Cc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C23H21N3O2/c1-15-19(9-6-10-22(15)28-14-17-7-4-3-5-8-17)21(27)12-18-11-20-16(2)25-26-23(20)24-13-18/h3-11,13H,12,14H2,1-2H3,(H,24,25,26)
InChIKeyLQARQHIUIFSSOL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.58
Rot. Bonds6

About 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone

1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone (PubChem CID 159423377) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
PubChem CID159423377
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCc1c(OCc2ccccc2)cccc1C(=O)Cc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C23H21N3O2/c1-15-19(9-6-10-22(15)28-14-17-7-4-3-5-8-17)21(27)12-18-11-20-16(2)25-26-23(20)24-13-18/h3-11,13H,12,14H2,1-2H3,(H,24,25,26)
InChIKeyLQARQHIUIFSSOL-UHFFFAOYSA-N
XLogP4.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichloro-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 157347910
1-[6-chloro-2-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 158959452
4-hydroxy-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methoxy]-N-(3-phenoxypropyl)benzamide
CID 170897937
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 59824877
(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59803810
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
CID 75442539
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
(4S)-4-(2-methylphenyl)-5-(2-methyl-3-phenylmethoxyphenyl)-5-oxopentanoic acid
CID 70225916
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
2-bromo-1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]ethanone
CID 87906872

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone (CID 159423377) is 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone is Cc1c(OCc2ccccc2)cccc1C(=O)Cc1cnc2n[nH]c(C)c2c1.
What is the InChIKey of 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
The InChIKey is LQARQHIUIFSSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-19(9-6-10-22(15)28-14-17-7-4-3-5-8-17)21(27)12-18-11-20-16(2)25-26-23(20)24-13-18/h3-11,13H,12,14H2,1-2H3,(H,24,25,26).
What are the key properties of 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone?
1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone has a molecular weight of 371.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenylmethoxyphenyl)-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 159423377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).