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

C39H51N7O6Si — CID 157416942

IUPAC2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C39H51N7O6Si/c1-7-30(43-37(48)29-22-44(24-51-17-18-53(4,5)6)36-33(29)42-31(21-40-36)27-13-14-27)38(49)41-20-28-19-32(47)35(52-23-26-11-9-8-10-12-26)34-39(50)45(25(2)3)15-16-46(28)34/h8-12,19,21-22,25,27,30H,7,13-18,20,23-24H2,1-6H3,(H,41,49)(H,43,48)
InChIKeyOWFAAACGTNYMTA-UHFFFAOYSA-N
MW741.97 g/mol
LogP5.05
Rot. Bonds16

About 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157416942) has the molecular formula C39H51N7O6Si and a molecular weight of 741.97 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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID157416942
Molecular FormulaC39H51N7O6Si
Molecular Weight741.97 g/mol
Exact Mass741.37
IUPAC Name2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C39H51N7O6Si/c1-7-30(43-37(48)29-22-44(24-51-17-18-53(4,5)6)36-33(29)42-31(21-40-36)27-13-14-27)38(49)41-20-28-19-32(47)35(52-23-26-11-9-8-10-12-26)34-39(50)45(25(2)3)15-16-46(28)34/h8-12,19,21-22,25,27,30H,7,13-18,20,23-24H2,1-6H3,(H,41,49)(H,43,48)
InChIKeyOWFAAACGTNYMTA-UHFFFAOYSA-N
XLogP5.05
TPSA149.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.97
LogP ≤ 55.05
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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157416942) is 2-cyclopropyl-N-[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)NCc1cc(=O)c(OCc2ccccc2)c2n1CCN(C(C)C)C2=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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OWFAAACGTNYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N7O6Si/c1-7-30(43-37(48)29-22-44(24-51-17-18-53(4,5)6)36-33(29)42-31(21-40-36)27-13-14-27)38(49)41-20-28-19-32(47)35(52-23-26-11-9-8-10-12-26)34-39(50)45(25(2)3)15-16-46(28)34/h8-12,19,21-22,25,27,30H,7,13-18,20,23-24H2,1-6H3,(H,41,49)(H,43,48).
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)methylamino]-1-oxobutan-2-yl]-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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 741.97 g/mol, XLogP of 5.05, 16 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)methylamino]-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157416942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).