1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone

C24H20N4O2 — CID 86728689

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc3ccccn3n2)c1
InChIInChI=1S/C24H20N4O2/c1-30-18-9-6-7-16(13-18)26-23(22-14-17-8-4-5-12-28(17)27-22)24(29)20-15-25-21-11-3-2-10-19(20)21/h2-15,23,25-26H,1H3
InChIKeyJIOIRQGEGSCDIX-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.86
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone (PubChem CID 86728689) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone
PubChem CID86728689
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc3ccccn3n2)c1
InChIInChI=1S/C24H20N4O2/c1-30-18-9-6-7-16(13-18)26-23(22-14-17-8-4-5-12-28(17)27-22)24(29)20-15-25-21-11-3-2-10-19(20)21/h2-15,23,25-26H,1H3
InChIKeyJIOIRQGEGSCDIX-UHFFFAOYSA-N
XLogP4.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone (CID 86728689) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc3ccccn3n2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone?
The InChIKey is JIOIRQGEGSCDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-18-9-6-7-16(13-18)26-23(22-14-17-8-4-5-12-28(17)27-22)24(29)20-15-25-21-11-3-2-10-19(20)21/h2-15,23,25-26H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone has a molecular weight of 396.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-2-ylethanone is sourced from PubChem (CID 86728689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).