1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H23FN4O2 — CID 51854324

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-14-13-21(24(30)27-15(2)17-5-11-20(31-4)12-6-17)22-16(3)28-29(23(22)26-14)19-9-7-18(25)8-10-19/h5-13,15H,1-4H3,(H,27,30)/t15-/m0/s1
InChIKeyHSYVPMHGBUSYPB-HNNXBMFYSA-N
MW418.47 g/mol
LogP4.68
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51854324) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51854324
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-14-13-21(24(30)27-15(2)17-5-11-20(31-4)12-6-17)22-16(3)28-29(23(22)26-14)19-9-7-18(25)8-10-19/h5-13,15H,1-4H3,(H,27,30)/t15-/m0/s1
InChIKeyHSYVPMHGBUSYPB-HNNXBMFYSA-N
XLogP4.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51851727
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823458
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854062
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823272
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928116

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51854324) is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is HSYVPMHGBUSYPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-13-21(24(30)27-15(2)17-5-11-20(31-4)12-6-17)22-16(3)28-29(23(22)26-14)19-9-7-18(25)8-10-19/h5-13,15H,1-4H3,(H,27,30)/t15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).