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

C30H31N7O2 — CID 86345812

IUPAC4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(C6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C30H31N7O2/c1-2-4-26-21(3-1)6-8-28(35-26)39-20-24-19-37-27(18-33-29(30(37)34-24)36-13-15-38-16-14-36)23-5-7-25(32-17-23)22-9-11-31-12-10-22/h1-8,17-19,22,31H,9-16,20H2
InChIKeyUWJCZEIFTDSPPV-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.22
Rot. Bonds6

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

4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345812) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345812
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(C6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C30H31N7O2/c1-2-4-26-21(3-1)6-8-28(35-26)39-20-24-19-37-27(18-33-29(30(37)34-24)36-13-15-38-16-14-36)23-5-7-25(32-17-23)22-9-11-31-12-10-22/h1-8,17-19,22,31H,9-16,20H2
InChIKeyUWJCZEIFTDSPPV-UHFFFAOYSA-N
XLogP4.22
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345812) is 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(OCc3cn4c(-c5ccc(C6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is UWJCZEIFTDSPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-2-4-26-21(3-1)6-8-28(35-26)39-20-24-19-37-27(18-33-29(30(37)34-24)36-13-15-38-16-14-36)23-5-7-25(32-17-23)22-9-11-31-12-10-22/h1-8,17-19,22,31H,9-16,20H2.
What are the key properties of 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 521.63 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-piperidin-4-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).