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

C29H29N9O2 — CID 86345852

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)CCN1
InChIInChI=1S/C29H29N9O2/c39-26-18-37(14-11-31-26)28-29-34-22(19-40-27-8-6-20-3-1-2-4-23(20)35-27)17-38(29)24(16-33-28)21-5-7-25(32-15-21)36-12-9-30-10-13-36/h1-8,15-17,30H,9-14,18-19H2,(H,31,39)
InChIKeyUGDBZIOVFUXHKE-UHFFFAOYSA-N
MW535.61 g/mol
LogP2.26
Rot. Bonds6

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

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one (PubChem CID 86345852) has the molecular formula C29H29N9O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
PubChem CID86345852
Molecular FormulaC29H29N9O2
Molecular Weight535.61 g/mol
Exact Mass535.24
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
SMILESO=C1CN(c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)CCN1
InChIInChI=1S/C29H29N9O2/c39-26-18-37(14-11-31-26)28-29-34-22(19-40-27-8-6-20-3-1-2-4-23(20)35-27)17-38(29)24(16-33-28)21-5-7-25(32-15-21)36-12-9-30-10-13-36/h1-8,15-17,30H,9-14,18-19H2,(H,31,39)
InChIKeyUGDBZIOVFUXHKE-UHFFFAOYSA-N
XLogP2.26
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.61
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one (CID 86345852) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one is O=C1CN(c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)CCN1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
The InChIKey is UGDBZIOVFUXHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O2/c39-26-18-37(14-11-31-26)28-29-34-22(19-40-27-8-6-20-3-1-2-4-23(20)35-27)17-38(29)24(16-33-28)21-5-7-25(32-15-21)36-12-9-30-10-13-36/h1-8,15-17,30H,9-14,18-19H2,(H,31,39).
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one has a molecular weight of 535.61 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 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-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one is sourced from PubChem (CID 86345852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).