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

C24H21FN4O2 — CID 87050817

IUPAC(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H21FN4O2/c1-31-20-9-7-16(8-10-20)22-27-21-6-3-12-26-23(21)29(22)19-11-13-28(15-19)24(30)17-4-2-5-18(25)14-17/h2-10,12,14,19H,11,13,15H2,1H3
InChIKeyYNCTYPBXFXLBTK-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.33
Rot. Bonds4

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

(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050817) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050817
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cccc(F)c3)C2)cc1
InChIInChI=1S/C24H21FN4O2/c1-31-20-9-7-16(8-10-20)22-27-21-6-3-12-26-23(21)29(22)19-11-13-28(15-19)24(30)17-4-2-5-18(25)14-17/h2-10,12,14,19H,11,13,15H2,1H3
InChIKeyYNCTYPBXFXLBTK-UHFFFAOYSA-N
XLogP4.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 53186831
(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108302
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
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
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95826223

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050817) is (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3cccc(F)c3)C2)cc1.
What is the InChIKey of (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YNCTYPBXFXLBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-31-20-9-7-16(8-10-20)22-27-21-6-3-12-26-23(21)29(22)19-11-13-28(15-19)24(30)17-4-2-5-18(25)14-17/h2-10,12,14,19H,11,13,15H2,1H3.
What are the key properties of (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 416.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).