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

C23H26N4O3 — CID 60525291

IUPAC2-(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
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H26N4O3/c28-21(14-27-22(29)17-5-1-2-6-18(17)23(27)30)24-16-10-8-15(9-11-16)19-13-26-12-4-3-7-20(26)25-19/h8-11,13,17-18H,1-7,12,14H2,(H,24,28)
InChIKeyFYIINBKGMYRCGY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.00
Rot. Bonds4

About 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

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 (PubChem CID 60525291) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID60525291
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(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
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H26N4O3/c28-21(14-27-22(29)17-5-1-2-6-18(17)23(27)30)24-16-10-8-15(9-11-16)19-13-26-12-4-3-7-20(26)25-19/h8-11,13,17-18H,1-7,12,14H2,(H,24,28)
InChIKeyFYIINBKGMYRCGY-UHFFFAOYSA-N
XLogP3.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886496
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525455
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55885574
3-(4-methylpyrazol-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 86830001
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
CID 119953344
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]formamide
CID 168652444
2-butyl-1,3-dioxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-5-carboxamide
CID 60525217
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 51516317

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN1C(=O)C2CCCCC2C1=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 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?
The InChIKey is FYIINBKGMYRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(14-27-22(29)17-5-1-2-6-18(17)23(27)30)24-16-10-8-15(9-11-16)19-13-26-12-4-3-7-20(26)25-19/h8-11,13,17-18H,1-7,12,14H2,(H,24,28).
What are the key properties of 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?
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 has a molecular weight of 406.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 60525291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).