4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C27H29N7O — CID 118645848

IUPAC4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCOc1cc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cnc1C
InChIInChI=1S/C27H29N7O/c1-18-23(35-4)15-21(17-30-18)25-24(20-7-5-19(16-28)6-8-20)31-27(26-29-11-14-34(25)26)33-12-9-22(10-13-33)32(2)3/h5-8,11,14-15,17,22H,9-10,12-13H2,1-4H3
InChIKeySIXXHQQUKXKBLD-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.18
Rot. Bonds5

About 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645848) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645848
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCOc1cc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cnc1C
InChIInChI=1S/C27H29N7O/c1-18-23(35-4)15-21(17-30-18)25-24(20-7-5-19(16-28)6-8-20)31-27(26-29-11-14-34(25)26)33-12-9-22(10-13-33)32(2)3/h5-8,11,14-15,17,22H,9-10,12-13H2,1-4H3
InChIKeySIXXHQQUKXKBLD-UHFFFAOYSA-N
XLogP4.18
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645848) is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is COc1cc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cnc1C.
What is the InChIKey of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is SIXXHQQUKXKBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-18-23(35-4)15-21(17-30-18)25-24(20-7-5-19(16-28)6-8-20)31-27(26-29-11-14-34(25)26)33-12-9-22(10-13-33)32(2)3/h5-8,11,14-15,17,22H,9-10,12-13H2,1-4H3.
What are the key properties of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 467.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-methoxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).