5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine

C17H18N4 — CID 115311351

IUPAC5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESc1ccc2c(c1)NCCCN2Cc1cn2ccccc2n1
InChIInChI=1S/C17H18N4/c1-2-7-16-15(6-1)18-9-5-11-20(16)12-14-13-21-10-4-3-8-17(21)19-14/h1-4,6-8,10,13,18H,5,9,11-12H2
InChIKeySEVGXVQQPDZQBC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds2

About 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine

5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 115311351) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID115311351
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESc1ccc2c(c1)NCCCN2Cc1cn2ccccc2n1
InChIInChI=1S/C17H18N4/c1-2-7-16-15(6-1)18-9-5-11-20(16)12-14-13-21-10-4-3-8-17(21)19-14/h1-4,6-8,10,13,18H,5,9,11-12H2
InChIKeySEVGXVQQPDZQBC-UHFFFAOYSA-N
XLogP3.16
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 66394316
5-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)-1,2,4-oxadiazole
CID 115311521
5-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311321
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311455
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
CID 107408411
5-[(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311322

Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 115311351) is 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine is c1ccc2c(c1)NCCCN2Cc1cn2ccccc2n1.
What is the InChIKey of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is SEVGXVQQPDZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-7-16-15(6-1)18-9-5-11-20(16)12-14-13-21-10-4-3-8-17(21)19-14/h1-4,6-8,10,13,18H,5,9,11-12H2.
What are the key properties of 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine?
5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 278.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 115311351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).