2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C22H24ClFN4O2 — CID 71835934

IUPAC2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCOCCn1c(CC2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2cccnc21
InChIInChI=1S/C22H24ClFN4O2/c1-30-11-10-28-20(26-19-6-3-8-25-22(19)28)12-15-7-9-27(14-15)21(29)13-16-17(23)4-2-5-18(16)24/h2-6,8,15H,7,9-14H2,1H3
InChIKeyOKBDHIOPMPCLQD-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.50
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 71835934) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID71835934
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCOCCn1c(CC2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2cccnc21
InChIInChI=1S/C22H24ClFN4O2/c1-30-11-10-28-20(26-19-6-3-8-25-22(19)28)12-15-7-9-27(14-15)21(29)13-16-17(23)4-2-5-18(16)24/h2-6,8,15H,7,9-14H2,1H3
InChIKeyOKBDHIOPMPCLQD-UHFFFAOYSA-N
XLogP3.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
2-(2-chloro-6-fluorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746530
2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 83275804
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
2-(2,6-difluorophenyl)-1-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166622977
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
2-(2-chloro-6-fluorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493335
[3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 83273773
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 71835934) is 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone is COCCn1c(CC2CCN(C(=O)Cc3c(F)cccc3Cl)C2)nc2cccnc21.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is OKBDHIOPMPCLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-30-11-10-28-20(26-19-6-3-8-25-22(19)28)12-15-7-9-27(14-15)21(29)13-16-17(23)4-2-5-18(16)24/h2-6,8,15H,7,9-14H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 430.91 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71835934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).