4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile

C29H27N7 — CID 118647574

IUPAC4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4ncccc4c3)n3cncc23)CC1
InChIInChI=1S/C29H27N7/c1-34(2)24-11-14-35(15-12-24)29-26-18-31-19-36(26)28(23-9-10-25-22(16-23)4-3-13-32-25)27(33-29)21-7-5-20(17-30)6-8-21/h3-10,13,16,18-19,24H,11-12,14-15H2,1-2H3
InChIKeyROMUJKUGRVFEHA-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.01
Rot. Bonds4

About 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile

4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile (PubChem CID 118647574) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile
PubChem CID118647574
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4ncccc4c3)n3cncc23)CC1
InChIInChI=1S/C29H27N7/c1-34(2)24-11-14-35(15-12-24)29-26-18-31-19-36(26)28(23-9-10-25-22(16-23)4-3-13-32-25)27(33-29)21-7-5-20(17-30)6-8-21/h3-10,13,16,18-19,24H,11-12,14-15H2,1-2H3
InChIKeyROMUJKUGRVFEHA-UHFFFAOYSA-N
XLogP5.01
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile (CID 118647574) is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile is CN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4ncccc4c3)n3cncc23)CC1.
What is the InChIKey of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile?
The InChIKey is ROMUJKUGRVFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-34(2)24-11-14-35(15-12-24)29-26-18-31-19-36(26)28(23-9-10-25-22(16-23)4-3-13-32-25)27(33-29)21-7-5-20(17-30)6-8-21/h3-10,13,16,18-19,24H,11-12,14-15H2,1-2H3.
What are the key properties of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile has a molecular weight of 473.58 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-quinolin-6-ylimidazo[1,5-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118647574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).