4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide

C26H27N5O2 — CID 155457366

IUPAC4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide
SMILESCc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)c(O)c4)c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H27N5O2/c1-15-9-17(10-18-14-31(4)8-7-19(15)18)22-13-28-25-24(29-22)21(12-27-25)16-5-6-20(23(32)11-16)26(33)30(2)3/h5-6,9-13,32H,7-8,14H2,1-4H3,(H,27,28)
InChIKeyQSNDXUHUOCAJBX-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.00
Rot. Bonds3

About 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide

4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 155457366) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID155457366
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide
SMILESCc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)c(O)c4)c3n2)cc2c1CCN(C)C2
InChIInChI=1S/C26H27N5O2/c1-15-9-17(10-18-14-31(4)8-7-19(15)18)22-13-28-25-24(29-22)21(12-27-25)16-5-6-20(23(32)11-16)26(33)30(2)3/h5-6,9-13,32H,7-8,14H2,1-4H3,(H,27,28)
InChIKeyQSNDXUHUOCAJBX-UHFFFAOYSA-N
XLogP4.00
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide 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

4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 155457312
4-[2-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,2-dimethyl-N-(trideuteriomethyl)benzamide
CID 167586906
3-[2-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 175950937
4-[2-[2-[2-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)ethyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 155457356
4-[2-[2-[4-(4-hydroxycyclohexyl)-3-oxobutyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 167572638
3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one
CID 155457394
4-[2-[2-[3-[(2-hydroxy-2-methylpropyl)amino]-3-oxopropyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 155457595
4-[2-[(4aS)-3,10-dimethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-8-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 155777585
4-[2-[2-(6-methoxy-3-oxohexyl)-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 167645849
4-[2-[2-[4-(4-fluorophenyl)-3-oxobutyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 167645850
4-[2-[2-[4-(4-hydroxycyclohexyl)-3-oxobutyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 167590249
N-methyl-4-[2-[5-methyl-2-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N-propylbenzamide
CID 155457255

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide (CID 155457366) is 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide is Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)c(O)c4)c3n2)cc2c1CCN(C)C2.
What is the InChIKey of 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is QSNDXUHUOCAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-15-9-17(10-18-14-31(4)8-7-19(15)18)22-13-28-25-24(29-22)21(12-27-25)16-5-6-20(23(32)11-16)26(33)30(2)3/h5-6,9-13,32H,7-8,14H2,1-4H3,(H,27,28).
What are the key properties of 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide?
4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 441.54 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 155457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).