(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone

C22H26N4O3 — CID 95110202

IUPAC(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@@H](c2nc3cccnc3n2CCOC)C1
InChIInChI=1S/C22H26N4O3/c1-3-29-19-9-5-4-7-17(19)22(27)25-12-10-16(15-25)20-24-18-8-6-11-23-21(18)26(20)13-14-28-2/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1
InChIKeyOQZCKEYGRHHQLS-MRXNPFEDSA-N
MW394.48 g/mol
LogP3.11
Rot. Bonds7

About (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone

(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95110202) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95110202
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@@H](c2nc3cccnc3n2CCOC)C1
InChIInChI=1S/C22H26N4O3/c1-3-29-19-9-5-4-7-17(19)22(27)25-12-10-16(15-25)20-24-18-8-6-11-23-21(18)26(20)13-14-28-2/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1
InChIKeyOQZCKEYGRHHQLS-MRXNPFEDSA-N
XLogP3.11
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 87054401
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054265
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone (CID 95110202) is (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CC[C@@H](c2nc3cccnc3n2CCOC)C1.
What is the InChIKey of (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is OQZCKEYGRHHQLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-29-19-9-5-4-7-17(19)22(27)25-12-10-16(15-25)20-24-18-8-6-11-23-21(18)26(20)13-14-28-2/h4-9,11,16H,3,10,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone?
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95110202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).