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

C33H39N7O — CID 155457356

IUPAC4-[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
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC4=NCC(C)(C)N4)CC5)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C33H39N7O/c1-20-14-23(15-24-18-40(11-9-25(20)24)12-10-29-36-19-33(3,4)38-29)28-17-35-31-30(37-28)27(16-34-31)22-7-8-26(21(2)13-22)32(41)39(5)6/h7-8,13-17H,9-12,18-19H2,1-6H3,(H,34,35)(H,36,38)
InChIKeyVNFKHZARGHKKBA-UHFFFAOYSA-N
MW549.72 g/mol
LogP5.14
Rot. Bonds6

About 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

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 (PubChem CID 155457356) has the molecular formula C33H39N7O and a molecular weight of 549.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID155457356
Molecular FormulaC33H39N7O
Molecular Weight549.72 g/mol
Exact Mass549.32
IUPAC Name4-[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
SMILESCc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC4=NCC(C)(C)N4)CC5)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C33H39N7O/c1-20-14-23(15-24-18-40(11-9-25(20)24)12-10-29-36-19-33(3,4)38-29)28-17-35-31-30(37-28)27(16-34-31)22-7-8-26(21(2)13-22)32(41)39(5)6/h7-8,13-17H,9-12,18-19H2,1-6H3,(H,34,35)(H,36,38)
InChIKeyVNFKHZARGHKKBA-UHFFFAOYSA-N
XLogP5.14
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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-[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
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
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-(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-[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-(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-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
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
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
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-[8-methoxy-2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 155457601
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC4=NCC(C)(C)N4)CC5)nc23)ccc1C(=O)N(C)C.
What is the InChIKey of 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?
The InChIKey is VNFKHZARGHKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O/c1-20-14-23(15-24-18-40(11-9-25(20)24)12-10-29-36-19-33(3,4)38-29)28-17-35-31-30(37-28)27(16-34-31)22-7-8-26(21(2)13-22)32(41)39(5)6/h7-8,13-17H,9-12,18-19H2,1-6H3,(H,34,35)(H,36,38).
What are the key properties of 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?
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 has a molecular weight of 549.72 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155457356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).