5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine

C25H31N7O2 — CID 176913197

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(N5CCOCC5)c4)n3)cc2)CC1
InChIInChI=1S/C25H31N7O2/c1-30-8-10-31(11-9-30)21-4-2-20(3-5-21)22-17-28-24(26)25(29-22)34-18-19-6-7-27-23(16-19)32-12-14-33-15-13-32/h2-7,16-17H,8-15,18H2,1H3,(H2,26,28)
InChIKeyUSGMNNHVUAMBLD-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.29
Rot. Bonds6

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 176913197) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine
PubChem CID176913197
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(N5CCOCC5)c4)n3)cc2)CC1
InChIInChI=1S/C25H31N7O2/c1-30-8-10-31(11-9-30)21-4-2-20(3-5-21)22-17-28-24(26)25(29-22)34-18-19-6-7-27-23(16-19)32-12-14-33-15-13-32/h2-7,16-17H,8-15,18H2,1H3,(H2,26,28)
InChIKeyUSGMNNHVUAMBLD-UHFFFAOYSA-N
XLogP2.29
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine (CID 176913197) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine is CN1CCN(c2ccc(-c3cnc(N)c(OCc4ccnc(N5CCOCC5)c4)n3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine?
The InChIKey is USGMNNHVUAMBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-30-8-10-31(11-9-30)21-4-2-20(3-5-21)22-17-28-24(26)25(29-22)34-18-19-6-7-27-23(16-19)32-12-14-33-15-13-32/h2-7,16-17H,8-15,18H2,1H3,(H2,26,28).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine?
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 461.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 176913197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).