2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline

C32H27N9O — CID 123133252

IUPAC2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(-c5ccc6nc[nH]c6c5)c4n3)ccc2c1
InChIInChI=1S/C32H27N9O/c1-2-4-25-21(3-1)7-10-30(39-25)42-19-24-18-41-28(23-6-9-29(34-16-23)40-13-11-33-12-14-40)17-35-31(32(41)38-24)22-5-8-26-27(15-22)37-20-36-26/h1-10,15-18,20,33H,11-14,19H2,(H,36,37)
InChIKeyKVNLMOQRADGOTB-UHFFFAOYSA-N
MW553.63 g/mol
LogP4.87
Rot. Bonds6

About 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline

2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline (PubChem CID 123133252) has the molecular formula C32H27N9O and a molecular weight of 553.63 g/mol. Its IUPAC name is 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline.

Molecular Properties

Compound Name2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
PubChem CID123133252
Molecular FormulaC32H27N9O
Molecular Weight553.63 g/mol
Exact Mass553.23
IUPAC Name2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(-c5ccc6nc[nH]c6c5)c4n3)ccc2c1
InChIInChI=1S/C32H27N9O/c1-2-4-25-21(3-1)7-10-30(39-25)42-19-24-18-41-28(23-6-9-29(34-16-23)40-13-11-33-12-14-40)17-35-31(32(41)38-24)22-5-8-26-27(15-22)37-20-36-26/h1-10,15-18,20,33H,11-14,19H2,(H,36,37)
InChIKeyKVNLMOQRADGOTB-UHFFFAOYSA-N
XLogP4.87
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.63
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The IUPAC name of 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline (CID 123133252) is 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline.
What is the SMILES notation for 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The canonical SMILES for 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline is c1ccc2nc(OCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(-c5ccc6nc[nH]c6c5)c4n3)ccc2c1.
What is the InChIKey of 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The InChIKey is KVNLMOQRADGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N9O/c1-2-4-25-21(3-1)7-10-30(39-25)42-19-24-18-41-28(23-6-9-29(34-16-23)40-13-11-33-12-14-40)17-35-31(32(41)38-24)22-5-8-26-27(15-22)37-20-36-26/h1-10,15-18,20,33H,11-14,19H2,(H,36,37).
What are the key properties of 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline has a molecular weight of 553.63 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(3H-benzimidazol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline is sourced from PubChem (CID 123133252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).