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

C23H31N5O4 — CID 54632969

IUPACN-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21-/m1/s1
InChIKeyWHHUAOMDORXOMQ-WHSLLNHNSA-N
MW441.53 g/mol
LogP2.16
Rot. Bonds3

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

N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide (PubChem CID 54632969) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide
PubChem CID54632969
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC NameN-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21-/m1/s1
InChIKeyWHHUAOMDORXOMQ-WHSLLNHNSA-N
XLogP2.16
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide (CID 54632969) is N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide is CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C.
What is the InChIKey of N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide?
The InChIKey is WHHUAOMDORXOMQ-WHSLLNHNSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-15-12-27(3)16(2)14-32-20-10-17(26-22(29)19-11-24-8-9-25-19)6-7-18(20)23(30)28(4)13-21(15)31-5/h6-11,15-16,21H,12-14H2,1-5H3,(H,26,29)/t15-,16-,21-/m1/s1.
What are the key properties of N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide?
N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 54632969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).