3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide

C28H25N5O2 — CID 167665637

IUPAC3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
SMILESO=C(NC1CCn2ccnc2C1)c1cccc(-c2cnc3c(c2)CC(=O)N3Cc2ccccc2)c1
InChIInChI=1S/C28H25N5O2/c34-26-15-22-14-23(17-30-27(22)33(26)18-19-5-2-1-3-6-19)20-7-4-8-21(13-20)28(35)31-24-9-11-32-12-10-29-25(32)16-24/h1-8,10,12-14,17,24H,9,11,15-16,18H2,(H,31,35)
InChIKeyYUNJTZXKIRTYPD-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.78
Rot. Bonds5

About 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide

3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide (PubChem CID 167665637) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide.

Molecular Properties

Compound Name3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
PubChem CID167665637
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
SMILESO=C(NC1CCn2ccnc2C1)c1cccc(-c2cnc3c(c2)CC(=O)N3Cc2ccccc2)c1
InChIInChI=1S/C28H25N5O2/c34-26-15-22-14-23(17-30-27(22)33(26)18-19-5-2-1-3-6-19)20-7-4-8-21(13-20)28(35)31-24-9-11-32-12-10-29-25(32)16-24/h1-8,10,12-14,17,24H,9,11,15-16,18H2,(H,31,35)
InChIKeyYUNJTZXKIRTYPD-UHFFFAOYSA-N
XLogP3.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide?
The IUPAC name of 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide (CID 167665637) is 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide.
What is the SMILES notation for 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide?
The canonical SMILES for 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide is O=C(NC1CCn2ccnc2C1)c1cccc(-c2cnc3c(c2)CC(=O)N3Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide?
The InChIKey is YUNJTZXKIRTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c34-26-15-22-14-23(17-30-27(22)33(26)18-19-5-2-1-3-6-19)20-7-4-8-21(13-20)28(35)31-24-9-11-32-12-10-29-25(32)16-24/h1-8,10,12-14,17,24H,9,11,15-16,18H2,(H,31,35).
What are the key properties of 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide?
3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide has a molecular weight of 463.54 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide is sourced from PubChem (CID 167665637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).