2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C42H55N7O6Si — CID 158485743

IUPAC2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cn(COCC[Si](C)(C)C)c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C42H55N7O6Si/c1-28(2)48-18-19-49-31(22-34(50)37(36(49)40(48)52)55-26-29-12-8-6-9-13-29)23-44-41(53)42(16-10-7-11-17-42)46-39(51)32-25-47(27-54-20-21-56(3,4)5)38-35(32)45-33(24-43-38)30-14-15-30/h6,8-9,12-13,22,24-25,28,30H,7,10-11,14-21,23,26-27H2,1-5H3,(H,44,53)(H,46,51)
InChIKeyUMOOCXHEPMIMGR-UHFFFAOYSA-N
MW782.03 g/mol
LogP5.97
Rot. Bonds15

About 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158485743) has the molecular formula C42H55N7O6Si and a molecular weight of 782.03 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158485743
Molecular FormulaC42H55N7O6Si
Molecular Weight782.03 g/mol
Exact Mass781.40
IUPAC Name2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cn(COCC[Si](C)(C)C)c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C42H55N7O6Si/c1-28(2)48-18-19-49-31(22-34(50)37(36(49)40(48)52)55-26-29-12-8-6-9-13-29)23-44-41(53)42(16-10-7-11-17-42)46-39(51)32-25-47(27-54-20-21-56(3,4)5)38-35(32)45-33(24-43-38)30-14-15-30/h6,8-9,12-13,22,24-25,28,30H,7,10-11,14-21,23,26-27H2,1-5H3,(H,44,53)(H,46,51)
InChIKeyUMOOCXHEPMIMGR-UHFFFAOYSA-N
XLogP5.97
TPSA149.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.03
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158485743) is 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cn(COCC[Si](C)(C)C)c5ncc(C6CC6)nc45)CCCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is UMOOCXHEPMIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N7O6Si/c1-28(2)48-18-19-49-31(22-34(50)37(36(49)40(48)52)55-26-29-12-8-6-9-13-29)23-44-41(53)42(16-10-7-11-17-42)46-39(51)32-25-47(27-54-20-21-56(3,4)5)38-35(32)45-33(24-43-38)30-14-15-30/h6,8-9,12-13,22,24-25,28,30H,7,10-11,14-21,23,26-27H2,1-5H3,(H,44,53)(H,46,51).
What are the key properties of 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 782.03 g/mol, XLogP of 5.97, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158485743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).