2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

C21H23N5O3 — CID 138722851

IUPAC2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCOc1ccc(-c2nc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C)c3[nH]2)cc1
InChIInChI=1S/C21H23N5O3/c1-13-4-3-11-26(13)17(27)12-23-21(28)16-9-10-22-20-18(16)24-19(25-20)14-5-7-15(29-2)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,28)(H,22,24,25)/t13-/m1/s1
InChIKeyQWUDMEJCXQRHLE-CYBMUJFWSA-N
MW393.45 g/mol
LogP2.37
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 138722851) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID138722851
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCOc1ccc(-c2nc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C)c3[nH]2)cc1
InChIInChI=1S/C21H23N5O3/c1-13-4-3-11-26(13)17(27)12-23-21(28)16-9-10-22-20-18(16)24-19(25-20)14-5-7-15(29-2)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,28)(H,22,24,25)/t13-/m1/s1
InChIKeyQWUDMEJCXQRHLE-CYBMUJFWSA-N
XLogP2.37
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 165399906
4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline
CID 177168514
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide;ethane
CID 177168599
methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 25179835
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 59282776
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(furan-3-yl)-N-[3-(4-methyl-2,4-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 91193302
N-[2-[(2S)-2-cyano-5,5-difluoropiperidin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)quinoline-4-carboxamide
CID 154966246
N-[2-(4-hydroxy-2-oxo-1-pyridinyl)ethyl]-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 143508177
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 78791464
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
CID 22243702

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 138722851) is 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is COc1ccc(-c2nc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C)c3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is QWUDMEJCXQRHLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-4-3-11-26(13)17(27)12-23-21(28)16-9-10-22-20-18(16)24-19(25-20)14-5-7-15(29-2)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,28)(H,22,24,25)/t13-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 138722851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).