1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

C20H17N3O3 — CID 163260869

IUPAC1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cccc(C(=O)N3CCCC3C=O)c2)c1
InChIInChI=1S/C20H17N3O3/c24-12-14-9-15-6-8-22(19(15)21-11-14)17-4-1-3-16(10-17)20(26)23-7-2-5-18(23)13-25/h1,3-4,6,8-13,18H,2,5,7H2
InChIKeyXHQZRQYCMKAWER-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.64
Rot. Bonds4

About 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 163260869) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID163260869
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cccc(C(=O)N3CCCC3C=O)c2)c1
InChIInChI=1S/C20H17N3O3/c24-12-14-9-15-6-8-22(19(15)21-11-14)17-4-1-3-16(10-17)20(26)23-7-2-5-18(23)13-25/h1,3-4,6,8-13,18H,2,5,7H2
InChIKeyXHQZRQYCMKAWER-UHFFFAOYSA-N
XLogP2.64
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-methylpiperidine;1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methanol
CID 176715768
3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile;1-methylpiperidine
CID 163260793
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
CID 146357901
1-[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 177185591
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
2-(2-formylpyrrolidine-1-carbonyl)indole-1-carboxylic acid
CID 22104492
(1-phenylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164780325
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
(3-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 175586985
[1-(3-methylsulfinylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 178044013
1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 163260869) is 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2-c2cccc(C(=O)N3CCCC3C=O)c2)c1.
What is the InChIKey of 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is XHQZRQYCMKAWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-12-14-9-15-6-8-22(19(15)21-11-14)17-4-1-3-16(10-17)20(26)23-7-2-5-18(23)13-25/h1,3-4,6,8-13,18H,2,5,7H2.
What are the key properties of 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 347.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 163260869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).