N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

C22H20FN5O3 — CID 87050906

IUPACN-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H20FN5O3/c1-30-19-5-4-15(11-17(19)23)25-22(29)27-9-6-16(12-27)28-20(14-7-10-31-13-14)26-18-3-2-8-24-21(18)28/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3,(H,25,29)
InChIKeyLMAUDBUEXSNXFL-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.32
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050906) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050906
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H20FN5O3/c1-30-19-5-4-15(11-17(19)23)25-22(29)27-9-6-16(12-27)28-20(14-7-10-31-13-14)26-18-3-2-8-24-21(18)28/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3,(H,25,29)
InChIKeyLMAUDBUEXSNXFL-UHFFFAOYSA-N
XLogP4.32
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethoxy-1-[(3R)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 95108322
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054348
N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286699
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050933
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
CID 87050950
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
N-(3,5-dimethoxyphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286626

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050906) is N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is LMAUDBUEXSNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-30-19-5-4-15(11-17(19)23)25-22(29)27-9-6-16(12-27)28-20(14-7-10-31-13-14)26-18-3-2-8-24-21(18)28/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).