N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H33N5O2 — CID 46522573

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C)N1CCCC1
InChIInChI=1S/C25H33N5O2/c1-16(2)20-14-19(23-17(3)28-29(4)24(23)27-20)25(31)26-15-21(30-12-8-9-13-30)18-10-6-7-11-22(18)32-5/h6-7,10-11,14,16,21H,8-9,12-13,15H2,1-5H3,(H,26,31)
InChIKeyZPSIJIMEJLFXSC-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46522573) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46522573
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C)N1CCCC1
InChIInChI=1S/C25H33N5O2/c1-16(2)20-14-19(23-17(3)28-29(4)24(23)27-20)25(31)26-15-21(30-12-8-9-13-30)18-10-6-7-11-22(18)32-5/h6-7,10-11,14,16,21H,8-9,12-13,15H2,1-5H3,(H,26,31)
InChIKeyZPSIJIMEJLFXSC-UHFFFAOYSA-N
XLogP3.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43043352
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375494
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55628686
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38557450
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49372484
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46522573) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(CNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZPSIJIMEJLFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16(2)20-14-19(23-17(3)28-29(4)24(23)27-20)25(31)26-15-21(30-12-8-9-13-30)18-10-6-7-11-22(18)32-5/h6-7,10-11,14,16,21H,8-9,12-13,15H2,1-5H3,(H,26,31).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46522573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).