2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol

C26H30FN5O4 — CID 145173205

IUPAC2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1.COc1ccc(CCc2nc3cc(-c4conc4C)cnc3n2CC=O)cc1F
InChIInChI=1S/C21H19FN4O3.C5H11NO/c1-13-16(12-29-25-13)15-10-18-21(23-11-15)26(7-8-27)20(24-18)6-4-14-3-5-19(28-2)17(22)9-14;1-6-3-2-5(7)4-6/h3,5,8-12H,4,6-7H2,1-2H3;5,7H,2-4H2,1H3
InChIKeyYNCOIVRMOOTMCV-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.21
Rot. Bonds7

About 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol

2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol (PubChem CID 145173205) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol
PubChem CID145173205
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC Name2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1.COc1ccc(CCc2nc3cc(-c4conc4C)cnc3n2CC=O)cc1F
InChIInChI=1S/C21H19FN4O3.C5H11NO/c1-13-16(12-29-25-13)15-10-18-21(23-11-15)26(7-8-27)20(24-18)6-4-14-3-5-19(28-2)17(22)9-14;1-6-3-2-5(7)4-6/h3,5,8-12H,4,6-7H2,1-2H3;5,7H,2-4H2,1H3
InChIKeyYNCOIVRMOOTMCV-UHFFFAOYSA-N
XLogP3.21
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol with MolForge

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 39457692
3-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734417
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
4-[3-[(3-fluoro-4-methoxyphenyl)methyl]triazolo[4,5-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118219136
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol?
The IUPAC name of 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol (CID 145173205) is 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol is CN1CCC(O)C1.COc1ccc(CCc2nc3cc(-c4conc4C)cnc3n2CC=O)cc1F.
What is the InChIKey of 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol?
The InChIKey is YNCOIVRMOOTMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3.C5H11NO/c1-13-16(12-29-25-13)15-10-18-21(23-11-15)26(7-8-27)20(24-18)6-4-14-3-5-19(28-2)17(22)9-14;1-6-3-2-5(7)4-6/h3,5,8-12H,4,6-7H2,1-2H3;5,7H,2-4H2,1H3.
What are the key properties of 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol?
2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol has a molecular weight of 495.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-(3-methyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]acetaldehyde;1-methylpyrrolidin-3-ol is sourced from PubChem (CID 145173205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).