7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one

C62H67N21O4 — CID 157071411

IUPAC7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.CN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCN(CCO)CC5)ncc4n3)ccc2n1
InChIInChI=1S/C21H23N7O2.C21H23N7O.C20H21N7O/c1-25-13-16-10-15(2-3-17(16)24-25)18-11-21(30)28-14-20(22-12-19(28)23-18)27-6-4-26(5-7-27)8-9-29;1-3-26-6-8-27(9-7-26)20-14-28-19(12-22-20)23-18(11-21(28)29)15-4-5-17-16(10-15)13-25(2)24-17;1-24-5-7-26(8-6-24)19-13-27-18(11-21-19)22-17(10-20(27)28)14-3-4-16-15(9-14)12-25(2)23-16/h2-3,10-14,29H,4-9H2,1H3;4-5,10-14H,3,6-9H2,1-2H3;3-4,9-13H,5-8H2,1-2H3
InChIKeyACMARLQWACZOCS-UHFFFAOYSA-N
MW1170.36 g/mol
LogP3.94
Rot. Bonds9

About 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one

7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 157071411) has the molecular formula C62H67N21O4 and a molecular weight of 1170.36 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one
PubChem CID157071411
Molecular FormulaC62H67N21O4
Molecular Weight1170.36 g/mol
Exact Mass1169.57
IUPAC Name7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.CN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCN(CCO)CC5)ncc4n3)ccc2n1
InChIInChI=1S/C21H23N7O2.C21H23N7O.C20H21N7O/c1-25-13-16-10-15(2-3-17(16)24-25)18-11-21(30)28-14-20(22-12-19(28)23-18)27-6-4-26(5-7-27)8-9-29;1-3-26-6-8-27(9-7-26)20-14-28-19(12-22-20)23-18(11-21(28)29)15-4-5-17-16(10-15)13-25(2)24-17;1-24-5-7-26(8-6-24)19-13-27-18(11-21-19)22-17(10-20(27)28)14-3-4-16-15(9-14)12-25(2)23-16/h2-3,10-14,29H,4-9H2,1H3;4-5,10-14H,3,6-9H2,1-2H3;3-4,9-13H,5-8H2,1-2H3
InChIKeyACMARLQWACZOCS-UHFFFAOYSA-N
XLogP3.94
TPSA234.91 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one (CID 157071411) is 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one is CCN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.CN1CCN(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3cn2)CC1.Cn1cc2cc(-c3cc(=O)n4cc(N5CCN(CCO)CC5)ncc4n3)ccc2n1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is ACMARLQWACZOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.C21H23N7O.C20H21N7O/c1-25-13-16-10-15(2-3-17(16)24-25)18-11-21(30)28-14-20(22-12-19(28)23-18)27-6-4-26(5-7-27)8-9-29;1-3-26-6-8-27(9-7-26)20-14-28-19(12-22-20)23-18(11-21(28)29)15-4-5-17-16(10-15)13-25(2)24-17;1-24-5-7-26(8-6-24)19-13-27-18(11-21-19)22-17(10-20(27)28)14-3-4-16-15(9-14)12-25(2)23-16/h2-3,10-14,29H,4-9H2,1H3;4-5,10-14H,3,6-9H2,1-2H3;3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one?
7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 1170.36 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157071411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).