1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C15H21N5 — CID 97391275

IUPAC1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H21N5/c1-12-4-5-14-11-20(7-6-18(2)15(14)17-12)10-13-8-16-19(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyUAJRGGPBZOAVLK-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.58
Rot. Bonds2

About 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97391275) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97391275
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H21N5/c1-12-4-5-14-11-20(7-6-18(2)15(14)17-12)10-13-8-16-19(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyUAJRGGPBZOAVLK-UHFFFAOYSA-N
XLogP1.58
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][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 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97391275) is 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(C)CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is UAJRGGPBZOAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-4-5-14-11-20(7-6-18(2)15(14)17-12)10-13-8-16-19(3)9-13/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 271.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97391275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).