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

C23H24N6O2 — CID 53186831

IUPAC(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(n2c(-c3ccc(OC)cc3)nc3cccnc32)C1
InChIInChI=1S/C23H24N6O2/c1-3-28-20(10-13-25-28)23(30)27-14-11-17(15-27)29-21(16-6-8-18(31-2)9-7-16)26-19-5-4-12-24-22(19)29/h4-10,12-13,17H,3,11,14-15H2,1-2H3
InChIKeyZSXNLRNXVOHRDR-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.41
Rot. Bonds5

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

(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 53186831) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID53186831
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(n2c(-c3ccc(OC)cc3)nc3cccnc32)C1
InChIInChI=1S/C23H24N6O2/c1-3-28-20(10-13-25-28)23(30)27-14-11-17(15-27)29-21(16-6-8-18(31-2)9-7-16)26-19-5-4-12-24-22(19)29/h4-10,12-13,17H,3,11,14-15H2,1-2H3
InChIKeyZSXNLRNXVOHRDR-UHFFFAOYSA-N
XLogP3.41
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108302
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
2-ethoxy-1-[(3R)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 95108322
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
(1-ethylpyrazol-3-yl)-[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108385
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 53186838
(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 110257772
[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108374
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 53186831) is (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(n2c(-c3ccc(OC)cc3)nc3cccnc32)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZSXNLRNXVOHRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-28-20(10-13-25-28)23(30)27-14-11-17(15-27)29-21(16-6-8-18(31-2)9-7-16)26-19-5-4-12-24-22(19)29/h4-10,12-13,17H,3,11,14-15H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53186831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).