2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C21H22N6 — CID 56896874

IUPAC2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1ccc2ncccc2c1Cn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C21H22N6/c1-15-5-6-19-17(4-2-8-23-19)18(15)14-26-11-9-24-21(26)20-12-16-13-22-7-3-10-27(16)25-20/h2,4-6,8-9,11-12,22H,3,7,10,13-14H2,1H3
InChIKeyYPXOVHMPXRMTIA-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.14
Rot. Bonds3

About 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56896874) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56896874
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1ccc2ncccc2c1Cn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C21H22N6/c1-15-5-6-19-17(4-2-8-23-19)18(15)14-26-11-9-24-21(26)20-12-16-13-22-7-3-10-27(16)25-20/h2,4-6,8-9,11-12,22H,3,7,10,13-14H2,1H3
InChIKeyYPXOVHMPXRMTIA-UHFFFAOYSA-N
XLogP3.14
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56896874) is 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is Cc1ccc2ncccc2c1Cn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is YPXOVHMPXRMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-15-5-6-19-17(4-2-8-23-19)18(15)14-26-11-9-24-21(26)20-12-16-13-22-7-3-10-27(16)25-20/h2,4-6,8-9,11-12,22H,3,7,10,13-14H2,1H3.
What are the key properties of 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 358.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methylquinolin-5-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56896874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).