(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C21H24N4O2 — CID 95108149

IUPAC(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C21H24N4O2/c1-3-6-19-23-18-9-5-11-22-20(18)25(19)16-10-12-24(14-16)21(26)15-7-4-8-17(13-15)27-2/h4-5,7-9,11,13,16H,3,6,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyFMBACOXPQQTNCB-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.48
Rot. Bonds5

About (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 95108149) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID95108149
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C21H24N4O2/c1-3-6-19-23-18-9-5-11-22-20(18)25(19)16-10-12-24(14-16)21(26)15-7-4-8-17(13-15)27-2/h4-5,7-9,11,13,16H,3,6,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyFMBACOXPQQTNCB-MRXNPFEDSA-N
XLogP3.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108192
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
N-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 95108149) is (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is CCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FMBACOXPQQTNCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-6-19-23-18-9-5-11-22-20(18)25(19)16-10-12-24(14-16)21(26)15-7-4-8-17(13-15)27-2/h4-5,7-9,11,13,16H,3,6,10,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).