2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline

C27H25N5 — CID 68629592

IUPAC2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(CC5CCNCC5)n5ccncc45)cc3n2)cc1
InChIInChI=1S/C27H25N5/c1-2-4-20(5-3-1)23-9-8-21-6-7-22(17-24(21)30-23)27-25-18-29-14-15-32(25)26(31-27)16-19-10-12-28-13-11-19/h1-9,14-15,17-19,28H,10-13,16H2
InChIKeyYNUAAJQAIBZSCR-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.15
Rot. Bonds4

About 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline

2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline (PubChem CID 68629592) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline.

Molecular Properties

Compound Name2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
PubChem CID68629592
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(CC5CCNCC5)n5ccncc45)cc3n2)cc1
InChIInChI=1S/C27H25N5/c1-2-4-20(5-3-1)23-9-8-21-6-7-22(17-24(21)30-23)27-25-18-29-14-15-32(25)26(31-27)16-19-10-12-28-13-11-19/h1-9,14-15,17-19,28H,10-13,16H2
InChIKeyYNUAAJQAIBZSCR-UHFFFAOYSA-N
XLogP5.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline?
The IUPAC name of 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline (CID 68629592) is 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline.
What is the SMILES notation for 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline?
The canonical SMILES for 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline is c1ccc(-c2ccc3ccc(-c4nc(CC5CCNCC5)n5ccncc45)cc3n2)cc1.
What is the InChIKey of 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline?
The InChIKey is YNUAAJQAIBZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-2-4-20(5-3-1)23-9-8-21-6-7-22(17-24(21)30-23)27-25-18-29-14-15-32(25)26(31-27)16-19-10-12-28-13-11-19/h1-9,14-15,17-19,28H,10-13,16H2.
What are the key properties of 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline?
2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline has a molecular weight of 419.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline is sourced from PubChem (CID 68629592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).