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

C24H24N4O2 — CID 51851727

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-15-13-21(24(29)26-16(2)18-9-8-12-20(14-18)30-4)22-17(3)27-28(23(22)25-15)19-10-6-5-7-11-19/h5-14,16H,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyYDQPHLSENSSIAI-INIZCTEOSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds5

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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51851727) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51851727
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-15-13-21(24(29)26-16(2)18-9-8-12-20(14-18)30-4)22-17(3)27-28(23(22)25-15)19-10-6-5-7-11-19/h5-14,16H,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyYDQPHLSENSSIAI-INIZCTEOSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854324
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854062
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 51851727) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YDQPHLSENSSIAI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-13-21(24(29)26-16(2)18-9-8-12-20(14-18)30-4)22-17(3)27-28(23(22)25-15)19-10-6-5-7-11-19/h5-14,16H,1-4H3,(H,26,29)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51851727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).