8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C21H21N5 — CID 56886172

IUPAC8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1ccc(-c2nc3ccccn3c2CN2CCCn3cncc3C2)cc1
InChIInChI=1S/C21H21N5/c1-2-7-17(8-3-1)21-19(26-12-5-4-9-20(26)23-21)15-24-10-6-11-25-16-22-13-18(25)14-24/h1-5,7-9,12-13,16H,6,10-11,14-15H2
InChIKeyNMXPLISFXXUGFJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.60
Rot. Bonds3

About 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 56886172) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID56886172
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESc1ccc(-c2nc3ccccn3c2CN2CCCn3cncc3C2)cc1
InChIInChI=1S/C21H21N5/c1-2-7-17(8-3-1)21-19(26-12-5-4-9-20(26)23-21)15-24-10-6-11-25-16-22-13-18(25)14-24/h1-5,7-9,12-13,16H,6,10-11,14-15H2
InChIKeyNMXPLISFXXUGFJ-UHFFFAOYSA-N
XLogP3.60
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 56886172) is 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is c1ccc(-c2nc3ccccn3c2CN2CCCn3cncc3C2)cc1.
What is the InChIKey of 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is NMXPLISFXXUGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-2-7-17(8-3-1)21-19(26-12-5-4-9-20(26)23-21)15-24-10-6-11-25-16-22-13-18(25)14-24/h1-5,7-9,12-13,16H,6,10-11,14-15H2.
What are the key properties of 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 343.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56886172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).