N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide

C23H26N8O — CID 167500526

IUPACN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)c4nccnc34)nc2c(C)n1
InChIInChI=1S/C23H26N8O/c1-13-9-30(10-14(2)26-13)18-6-5-17(20-21(18)25-8-7-24-20)23(32)29-19-12-31-11-15(3)27-16(4)22(31)28-19/h5-8,11-14,26H,9-10H2,1-4H3,(H,29,32)/t13-,14+
InChIKeyKDQXHSHOSKQJPR-OKILXGFUSA-N
MW430.52 g/mol
LogP2.73
Rot. Bonds3

About N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide

N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide (PubChem CID 167500526) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
PubChem CID167500526
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)c4nccnc34)nc2c(C)n1
InChIInChI=1S/C23H26N8O/c1-13-9-30(10-14(2)26-13)18-6-5-17(20-21(18)25-8-7-24-20)23(32)29-19-12-31-11-15(3)27-16(4)22(31)28-19/h5-8,11-14,26H,9-10H2,1-4H3,(H,29,32)/t13-,14+
InChIKeyKDQXHSHOSKQJPR-OKILXGFUSA-N
XLogP2.73
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide (CID 167500526) is N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)c4nccnc34)nc2c(C)n1.
What is the InChIKey of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The InChIKey is KDQXHSHOSKQJPR-OKILXGFUSA-N. The full InChI is InChI=1S/C23H26N8O/c1-13-9-30(10-14(2)26-13)18-6-5-17(20-21(18)25-8-7-24-20)23(32)29-19-12-31-11-15(3)27-16(4)22(31)28-19/h5-8,11-14,26H,9-10H2,1-4H3,(H,29,32)/t13-,14+.
What are the key properties of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 167500526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).