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

C22H24FN5O2 — CID 53186838

IUPAC1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C22H24FN5O2/c23-17-5-3-16(4-6-17)21-25-19-2-1-8-24-22(19)28(21)18-7-9-27(14-18)20(29)15-26-10-12-30-13-11-26/h1-6,8,18H,7,9-15H2
InChIKeyQQPFLZOSUNKLJQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.34
Rot. Bonds4

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

1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 53186838) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID53186838
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C22H24FN5O2/c23-17-5-3-16(4-6-17)21-25-19-2-1-8-24-22(19)28(21)18-7-9-27(14-18)20(29)15-26-10-12-30-13-11-26/h1-6,8,18H,7,9-15H2
InChIKeyQQPFLZOSUNKLJQ-UHFFFAOYSA-N
XLogP2.34
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-1-[(3R)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 95108322
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 53186831
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050933
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95826223
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265
3-methoxy-1-[(3S)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108266
[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108374

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 53186838) is 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is QQPFLZOSUNKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-5-3-16(4-6-17)21-25-19-2-1-8-24-22(19)28(21)18-7-9-27(14-18)20(29)15-26-10-12-30-13-11-26/h1-6,8,18H,7,9-15H2.
What are the key properties of 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 409.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 53186838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).