4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C25H27N9O — CID 123133250

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1ncccn1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1
InChIInChI=1S/C25H27N9O/c1-6-27-22(28-7-1)4-3-20-18-34-21(17-30-24(25(34)31-20)33-12-14-35-15-13-33)19-2-5-23(29-16-19)32-10-8-26-9-11-32/h1-7,16-18,26H,8-15H2/b4-3+
InChIKeyOJELAQRSBVBRCG-ONEGZZNKSA-N
MW469.55 g/mol
LogP2.00
Rot. Bonds5

About 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133250) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133250
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1ncccn1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1
InChIInChI=1S/C25H27N9O/c1-6-27-22(28-7-1)4-3-20-18-34-21(17-30-24(25(34)31-20)33-12-14-35-15-13-33)19-2-5-23(29-16-19)32-10-8-26-9-11-32/h1-7,16-18,26H,8-15H2/b4-3+
InChIKeyOJELAQRSBVBRCG-ONEGZZNKSA-N
XLogP2.00
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133250) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=C/c1ncccn1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is OJELAQRSBVBRCG-ONEGZZNKSA-N. The full InChI is InChI=1S/C25H27N9O/c1-6-27-22(28-7-1)4-3-20-18-34-21(17-30-24(25(34)31-20)33-12-14-35-15-13-33)19-2-5-23(29-16-19)32-10-8-26-9-11-32/h1-7,16-18,26H,8-15H2/b4-3+.
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 469.55 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).