2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide

C26H26N4O3 — CID 60525217

IUPAC2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2C1=O
InChIInChI=1S/C26H26N4O3/c1-2-3-14-30-25(32)20-12-9-18(15-21(20)26(30)33)24(31)27-19-10-7-17(8-11-19)22-16-29-13-5-4-6-23(29)28-22/h7-12,15-16H,2-6,13-14H2,1H3,(H,27,31)
InChIKeyXOXQXOVWNNPNCH-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.53
Rot. Bonds6

About 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide

2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide (PubChem CID 60525217) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
PubChem CID60525217
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2C1=O
InChIInChI=1S/C26H26N4O3/c1-2-3-14-30-25(32)20-12-9-18(15-21(20)26(30)33)24(31)27-19-10-7-17(8-11-19)22-16-29-13-5-4-6-23(29)28-22/h7-12,15-16H,2-6,13-14H2,1H3,(H,27,31)
InChIKeyXOXQXOVWNNPNCH-UHFFFAOYSA-N
XLogP4.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 26252592
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525291
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
2-butyl-1,3-dioxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
4-(phenylsulfamoyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885317
2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 35386053
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide (CID 60525217) is 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2C1=O.
What is the InChIKey of 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide?
The InChIKey is XOXQXOVWNNPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-2-3-14-30-25(32)20-12-9-18(15-21(20)26(30)33)24(31)27-19-10-7-17(8-11-19)22-16-29-13-5-4-6-23(29)28-22/h7-12,15-16H,2-6,13-14H2,1H3,(H,27,31).
What are the key properties of 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide?
2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 60525217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).