3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C24H22N4O — CID 112833260

IUPAC3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C24H22N4O/c29-24(19-6-5-8-21(16-19)27-13-3-4-14-27)26-20-11-9-18(10-12-20)23-25-17-22-7-1-2-15-28(22)23/h3-6,8-14,16-17H,1-2,7,15H2,(H,26,29)
InChIKeyBHTFFXCAKOWFHG-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.93
Rot. Bonds4

About 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112833260) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
PubChem CID112833260
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C24H22N4O/c29-24(19-6-5-8-21(16-19)27-13-3-4-14-27)26-20-11-9-18(10-12-20)23-25-17-22-7-1-2-15-28(22)23/h3-6,8-14,16-17H,1-2,7,15H2,(H,26,29)
InChIKeyBHTFFXCAKOWFHG-UHFFFAOYSA-N
XLogP4.93
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833310
5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832989
2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833070
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 18283060
3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832942
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
3-(dimethylamino)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7551773
lithium 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoate
CID 130405932

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112833260) is 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(-n2cccc2)c1.
What is the InChIKey of 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is BHTFFXCAKOWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(19-6-5-8-21(16-19)27-13-3-4-14-27)26-20-11-9-18(10-12-20)23-25-17-22-7-1-2-15-28(22)23/h3-6,8-14,16-17H,1-2,7,15H2,(H,26,29).
What are the key properties of 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112833260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).