(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone

C22H23N5O — CID 91915559

IUPAC(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C22H23N5O/c1-25-16-17-6-2-3-8-19(17)27-15-12-24-21(27)22(25)9-13-26(14-10-22)20(28)18-7-4-5-11-23-18/h2-8,11-12,15H,9-10,13-14,16H2,1H3
InChIKeyZOBVCIIOLGOMCP-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.84
Rot. Bonds1

About (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone

(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone (PubChem CID 91915559) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone
PubChem CID91915559
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C22H23N5O/c1-25-16-17-6-2-3-8-19(17)27-15-12-24-21(27)22(25)9-13-26(14-10-22)20(28)18-7-4-5-11-23-18/h2-8,11-12,15H,9-10,13-14,16H2,1H3
InChIKeyZOBVCIIOLGOMCP-UHFFFAOYSA-N
XLogP2.84
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone?
The IUPAC name of (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone (CID 91915559) is (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone is CN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccccn1)CC2.
What is the InChIKey of (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone?
The InChIKey is ZOBVCIIOLGOMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-25-16-17-6-2-3-8-19(17)27-15-12-24-21(27)22(25)9-13-26(14-10-22)20(28)18-7-4-5-11-23-18/h2-8,11-12,15H,9-10,13-14,16H2,1H3.
What are the key properties of (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone?
(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone has a molecular weight of 373.46 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 91915559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).