N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O2 — CID 46588315

IUPACN-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C25H26N4O2/c1-16-23-20(25(30)28(3)17(2)19-13-9-10-14-22(19)31-5)15-21(18-11-7-6-8-12-18)26-24(23)29(4)27-16/h6-15,17H,1-5H3
InChIKeyRBHKWHQSLGLXPO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.79
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46588315) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46588315
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C25H26N4O2/c1-16-23-20(25(30)28(3)17(2)19-13-9-10-14-22(19)31-5)15-21(18-11-7-6-8-12-18)26-24(23)29(4)27-16/h6-15,17H,1-5H3
InChIKeyRBHKWHQSLGLXPO-UHFFFAOYSA-N
XLogP4.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
N-(2-methoxyethyl)-1,3-dimethyl-N-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32954817
3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520164
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
1-cyanoethyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46516996
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375494
N,1,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26021949
N,1,3-trimethyl-6-phenyl-N-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119442612
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 34484289
N,1,3-trimethyl-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55502784
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43066695

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46588315) is N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RBHKWHQSLGLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-23-20(25(30)28(3)17(2)19-13-9-10-14-22(19)31-5)15-21(18-11-7-6-8-12-18)26-24(23)29(4)27-16/h6-15,17H,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46588315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).