5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde

C23H24FN3O — CID 170108487

IUPAC5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde
SMILESCN1CC2(CCC(c3cn(-c4ccc(F)cc4C=O)c4cnccc34)CC2)C1
InChIInChI=1S/C23H24FN3O/c1-26-14-23(15-26)7-4-16(5-8-23)20-12-27(22-11-25-9-6-19(20)22)21-3-2-18(24)10-17(21)13-28/h2-3,6,9-13,16H,4-5,7-8,14-15H2,1H3
InChIKeyGNVDSXNVDOXUKD-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.57
Rot. Bonds3

About 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde

5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde (PubChem CID 170108487) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde
PubChem CID170108487
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde
SMILESCN1CC2(CCC(c3cn(-c4ccc(F)cc4C=O)c4cnccc34)CC2)C1
InChIInChI=1S/C23H24FN3O/c1-26-14-23(15-26)7-4-16(5-8-23)20-12-27(22-11-25-9-6-19(20)22)21-3-2-18(24)10-17(21)13-28/h2-3,6,9-13,16H,4-5,7-8,14-15H2,1H3
InChIKeyGNVDSXNVDOXUKD-UHFFFAOYSA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluorobenzaldehyde
CID 170108733
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
CID 134347849
3-[2-(cyclobutylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(4-fluoro-2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridine
CID 134354397
2-[3-[1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 134347827
5-fluoro-2-[3-[4-(4-hydroxypiperidin-1-yl)cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 134347619
acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 142307185
[4-[2-[4-[1-[4-fluoro-2-[methyl(propan-2-yl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethyl]piperidin-1-yl]methanesulfinic acid
CID 138708116
3-cyclopropyl-1-methylpyrrolo[2,3-c]pyridine;ethane
CID 167522006
5-fluoro-2-[3-[4-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]cyclohexyl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 134347731
2-[3-[1-[(3R)-2-azabicyclo[2.2.2]octane-3-carbonyl]azepan-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 156711411
5-fluoro-N-methyl-2-[3-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-propan-2-ylbenzamide
CID 134347799
5-fluoro-2-[3-[1-[(1S,3S,4S,5S)-5-fluoro-2-azabicyclo[2.2.2]octane-3-carbonyl]azepan-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-N-methyl-N-propan-2-ylbenzamide
CID 172744968

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde?
The IUPAC name of 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde (CID 170108487) is 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde.
What is the SMILES notation for 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde?
The canonical SMILES for 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde is CN1CC2(CCC(c3cn(-c4ccc(F)cc4C=O)c4cnccc34)CC2)C1.
What is the InChIKey of 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde?
The InChIKey is GNVDSXNVDOXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-26-14-23(15-26)7-4-16(5-8-23)20-12-27(22-11-25-9-6-19(20)22)21-3-2-18(24)10-17(21)13-28/h2-3,6,9-13,16H,4-5,7-8,14-15H2,1H3.
What are the key properties of 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde?
5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde has a molecular weight of 377.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)pyrrolo[2,3-c]pyridin-1-yl]benzaldehyde is sourced from PubChem (CID 170108487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).