6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline

C25H23N7 — CID 155538702

IUPAC6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C25H23N7/c1-30-9-11-31(12-10-30)24-7-5-20(14-28-24)22-17-32-23(15-29-25(32)16-27-22)19-4-6-21-18(13-19)3-2-8-26-21/h2-8,13-17H,9-12H2,1H3
InChIKeyDWQTYPYIOCOWBG-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.76
Rot. Bonds3

About 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline

6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline (PubChem CID 155538702) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline.

Molecular Properties

Compound Name6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline
PubChem CID155538702
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C25H23N7/c1-30-9-11-31(12-10-30)24-7-5-20(14-28-24)22-17-32-23(15-29-25(32)16-27-22)19-4-6-21-18(13-19)3-2-8-26-21/h2-8,13-17H,9-12H2,1H3
InChIKeyDWQTYPYIOCOWBG-UHFFFAOYSA-N
XLogP3.76
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline?
The IUPAC name of 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline (CID 155538702) is 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline.
What is the SMILES notation for 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline?
The canonical SMILES for 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline is CN1CCN(c2ccc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)CC1.
What is the InChIKey of 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline?
The InChIKey is DWQTYPYIOCOWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-30-9-11-31(12-10-30)24-7-5-20(14-28-24)22-17-32-23(15-29-25(32)16-27-22)19-4-6-21-18(13-19)3-2-8-26-21/h2-8,13-17H,9-12H2,1H3.
What are the key properties of 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline?
6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline has a molecular weight of 421.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline is sourced from PubChem (CID 155538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).