4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine

C19H20FN3O — CID 90412305

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C)C3)cc12
InChIInChI=1S/C19H20FN3O/c1-23-8-6-12(11-23)17-10-16-14(5-7-21-19(16)22-17)15-9-13(20)3-4-18(15)24-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,22)
InChIKeyOZWHCAZDQNMMES-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.80
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine

4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90412305) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90412305
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C)C3)cc12
InChIInChI=1S/C19H20FN3O/c1-23-8-6-12(11-23)17-10-16-14(5-7-21-19(16)22-17)15-9-13(20)3-4-18(15)24-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,22)
InChIKeyOZWHCAZDQNMMES-UHFFFAOYSA-N
XLogP3.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 90412418
4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90411752
dichloromethane;2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 159797717
N-ethyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-sulfonamide
CID 90420133
2-(azepan-3-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90413024
N,N-dimethylformamide;4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 160838023
tert-butyl (2S)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate
CID 90420655
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 90412807
4-(5-fluoro-2-methoxyphenyl)-2-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine;oxane-3-carbaldehyde
CID 158715114
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-2-[(4-hydroxycyclohexyl)amino]ethanone
CID 90412542
tert-butyl N-[2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-1-yl]ethyl]carbamate
CID 140653438
tert-butyl 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 90412610

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90412305) is 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C)C3)cc12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OZWHCAZDQNMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23-8-6-12(11-23)17-10-16-14(5-7-21-19(16)22-17)15-9-13(20)3-4-18(15)24-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 325.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90412305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).