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

C31H33N9O — CID 86345606

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(N3CC(c4cn5c(-c6ccc(N7CCNCC7)nc6)cnc(N6CCOCC6)c5n4)C3)ccc2c1
InChIInChI=1S/C31H33N9O/c1-2-4-25-22(3-1)5-8-29(35-25)39-19-24(20-39)26-21-40-27(18-34-30(31(40)36-26)38-13-15-41-16-14-38)23-6-7-28(33-17-23)37-11-9-32-10-12-37/h1-8,17-18,21,24,32H,9-16,19-20H2
InChIKeyGLRPVQCAITYCAP-UHFFFAOYSA-N
MW547.67 g/mol
LogP3.19
Rot. Bonds5

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

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345606) has the molecular formula C31H33N9O and a molecular weight of 547.67 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345606
Molecular FormulaC31H33N9O
Molecular Weight547.67 g/mol
Exact Mass547.28
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(N3CC(c4cn5c(-c6ccc(N7CCNCC7)nc6)cnc(N6CCOCC6)c5n4)C3)ccc2c1
InChIInChI=1S/C31H33N9O/c1-2-4-25-22(3-1)5-8-29(35-25)39-19-24(20-39)26-21-40-27(18-34-30(31(40)36-26)38-13-15-41-16-14-38)23-6-7-28(33-17-23)37-11-9-32-10-12-37/h1-8,17-18,21,24,32H,9-16,19-20H2
InChIKeyGLRPVQCAITYCAP-UHFFFAOYSA-N
XLogP3.19
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.67
LogP ≤ 53.19
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-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345606) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(N3CC(c4cn5c(-c6ccc(N7CCNCC7)nc6)cnc(N6CCOCC6)c5n4)C3)ccc2c1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is GLRPVQCAITYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9O/c1-2-4-25-22(3-1)5-8-29(35-25)39-19-24(20-39)26-21-40-27(18-34-30(31(40)36-26)38-13-15-41-16-14-38)23-6-7-28(33-17-23)37-11-9-32-10-12-37/h1-8,17-18,21,24,32H,9-16,19-20H2.
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 547.67 g/mol, XLogP of 3.19, 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-(1-quinolin-2-ylazetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).