N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide

C25H35N5O4 — CID 54631565

IUPACN-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide
SMILESCCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C
InChIInChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1
InChIKeyZGJMWZDWXNCIBA-IUKKYPGJSA-N
MW469.59 g/mol
LogP2.94
Rot. Bonds5

About N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide

N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide (PubChem CID 54631565) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide
PubChem CID54631565
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC NameN-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide
SMILESCCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C
InChIInChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1
InChIKeyZGJMWZDWXNCIBA-IUKKYPGJSA-N
XLogP2.94
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide (CID 54631565) is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide is CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C.
What is the InChIKey of N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide?
The InChIKey is ZGJMWZDWXNCIBA-IUKKYPGJSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1.
What are the key properties of N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide?
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 54631565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).