N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

C22H14N4O3 — CID 108788490

IUPACN-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H14N4O3/c27-20(23-15-6-7-16-17(11-15)22(29)25-21(16)28)14-8-9-26-12-18(24-19(26)10-14)13-4-2-1-3-5-13/h1-12H,(H,23,27)(H,25,28,29)
InChIKeyUXBAPILVXPNODE-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.14
Rot. Bonds3

About N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108788490) has the molecular formula C22H14N4O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID108788490
Molecular FormulaC22H14N4O3
Molecular Weight382.38 g/mol
Exact Mass382.11
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H14N4O3/c27-20(23-15-6-7-16-17(11-15)22(29)25-21(16)28)14-8-9-26-12-18(24-19(26)10-14)13-4-2-1-3-5-13/h1-12H,(H,23,27)(H,25,28,29)
InChIKeyUXBAPILVXPNODE-UHFFFAOYSA-N
XLogP3.14
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 108788490) is N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is UXBAPILVXPNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3/c27-20(23-15-6-7-16-17(11-15)22(29)25-21(16)28)14-8-9-26-12-18(24-19(26)10-14)13-4-2-1-3-5-13/h1-12H,(H,23,27)(H,25,28,29).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108788490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).