7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one

C54H58N14O2 — CID 153328772

IUPAC7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
SMILESCNc1nc(-c2nc3cnc(N4CCN(CCC5(C)C(=O)N(C(C)C)c6cc7c(cc65)nc(-c5cc(C)c(=O)n(C)c5)n7C(C)c5ccccc5)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C54H58N14O2/c1-33(2)67-44-27-46-41(58-49(39-25-34(3)52(69)62(8)31-39)68(46)35(4)38-17-13-10-14-18-38)26-40(44)54(6,53(67)70)19-20-63-21-23-64(24-22-63)47-28-45-42(29-56-47)59-50(66(45)30-37-15-11-9-12-16-37)43-32-65-36(5)60-61-51(65)48(55-7)57-43/h9-18,25-29,31-33,35H,19-24,30H2,1-8H3,(H,55,57)
InChIKeyDFKNYRNVMMZKBZ-UHFFFAOYSA-N
MW935.15 g/mol
LogP7.79
Rot. Bonds12

About 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one

7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one (PubChem CID 153328772) has the molecular formula C54H58N14O2 and a molecular weight of 935.15 g/mol. Its IUPAC name is 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
PubChem CID153328772
Molecular FormulaC54H58N14O2
Molecular Weight935.15 g/mol
Exact Mass934.49
IUPAC Name7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
SMILESCNc1nc(-c2nc3cnc(N4CCN(CCC5(C)C(=O)N(C(C)C)c6cc7c(cc65)nc(-c5cc(C)c(=O)n(C)c5)n7C(C)c5ccccc5)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12
InChIInChI=1S/C54H58N14O2/c1-33(2)67-44-27-46-41(58-49(39-25-34(3)52(69)62(8)31-39)68(46)35(4)38-17-13-10-14-18-38)26-40(44)54(6,53(67)70)19-20-63-21-23-64(24-22-63)47-28-45-42(29-56-47)59-50(66(45)30-37-15-11-9-12-16-37)43-32-65-36(5)60-61-51(65)48(55-7)57-43/h9-18,25-29,31-33,35H,19-24,30H2,1-8H3,(H,55,57)
InChIKeyDFKNYRNVMMZKBZ-UHFFFAOYSA-N
XLogP7.79
TPSA152.43 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.15
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one 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

CID 141451167
CID 141451167
CID 141451170
CID 141451170
CID 141451182
CID 141451182
CID 89700137
CID 89700137
CID 89700230
CID 89700230
CID 45268307
CID 45268307
CID 45270051
CID 45270051
CID 45270871
CID 45270871
CID 155533635
CID 155533635
CID 155538180
CID 155538180
CID 141451178
CID 141451178
CID 49872083
CID 49872083

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The IUPAC name of 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one (CID 153328772) is 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one.
What is the SMILES notation for 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The canonical SMILES for 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one is CNc1nc(-c2nc3cnc(N4CCN(CCC5(C)C(=O)N(C(C)C)c6cc7c(cc65)nc(-c5cc(C)c(=O)n(C)c5)n7C(C)c5ccccc5)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12.
What is the InChIKey of 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The InChIKey is DFKNYRNVMMZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58N14O2/c1-33(2)67-44-27-46-41(58-49(39-25-34(3)52(69)62(8)31-39)68(46)35(4)38-17-13-10-14-18-38)26-40(44)54(6,53(67)70)19-20-63-21-23-64(24-22-63)47-28-45-42(29-56-47)59-50(66(45)30-37-15-11-9-12-16-37)43-32-65-36(5)60-61-51(65)48(55-7)57-43/h9-18,25-29,31-33,35H,19-24,30H2,1-8H3,(H,55,57).
What are the key properties of 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one has a molecular weight of 935.15 g/mol, XLogP of 7.79, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[1-benzyl-2-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]imidazo[4,5-c]pyridin-6-yl]piperazin-1-yl]ethyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-3-(1-phenylethyl)-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one is sourced from PubChem (CID 153328772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).