8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

C24H26ClN7O — CID 18613468

IUPAC8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CN3CCCC3)c1)=N2
InChIInChI=1S/C24H26ClN7O/c1-30(2)23-12-22-21(11-19(23)25)28-24(33)13-20(27-22)16-6-5-7-17(10-16)32-18(14-26-29-32)15-31-8-3-4-9-31/h5-7,10-12,14H,3-4,8-9,13,15H2,1-2H3,(H,28,33)
InChIKeyOZYHZFRVGGLBCN-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.05
Rot. Bonds5

About 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 18613468) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID18613468
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC Name8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CN3CCCC3)c1)=N2
InChIInChI=1S/C24H26ClN7O/c1-30(2)23-12-22-21(11-19(23)25)28-24(33)13-20(27-22)16-6-5-7-17(10-16)32-18(14-26-29-32)15-31-8-3-4-9-31/h5-7,10-12,14H,3-4,8-9,13,15H2,1-2H3,(H,28,33)
InChIKeyOZYHZFRVGGLBCN-UHFFFAOYSA-N
XLogP4.05
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one 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 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (CID 18613468) is 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is CN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CN3CCCC3)c1)=N2.
What is the InChIKey of 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is OZYHZFRVGGLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-30(2)23-12-22-21(11-19(23)25)28-24(33)13-20(27-22)16-6-5-7-17(10-16)32-18(14-26-29-32)15-31-8-3-4-9-31/h5-7,10-12,14H,3-4,8-9,13,15H2,1-2H3,(H,28,33).
What are the key properties of 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 463.97 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(dimethylamino)-4-[3-[5-(pyrrolidin-1-ylmethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 18613468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).