2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde

C22H18N4O3 — CID 143808402

IUPAC2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1
InChIInChI=1S/C22H18N4O3/c1-29-19-8-13(12-27)7-18(25-19)24-16-5-4-14-10-22(11-15(14)9-16)17-3-2-6-23-20(17)26-21(22)28/h2-9,12H,10-11H2,1H3,(H,24,25)(H,23,26,28)
InChIKeyYZWNLWZFMMXKMZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.03
Rot. Bonds4

About 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde

2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde (PubChem CID 143808402) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde
PubChem CID143808402
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1
InChIInChI=1S/C22H18N4O3/c1-29-19-8-13(12-27)7-18(25-19)24-16-5-4-14-10-22(11-15(14)9-16)17-3-2-6-23-20(17)26-21(22)28/h2-9,12H,10-11H2,1H3,(H,24,25)(H,23,26,28)
InChIKeyYZWNLWZFMMXKMZ-UHFFFAOYSA-N
XLogP3.03
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde (CID 143808402) is 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde is COc1cc(C=O)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1.
What is the InChIKey of 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde?
The InChIKey is YZWNLWZFMMXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-19-8-13(12-27)7-18(25-19)24-16-5-4-14-10-22(11-15(14)9-16)17-3-2-6-23-20(17)26-21(22)28/h2-9,12H,10-11H2,1H3,(H,24,25)(H,23,26,28).
What are the key properties of 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde?
2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde has a molecular weight of 386.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-4-carbaldehyde is sourced from PubChem (CID 143808402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).