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

C26H27N7O — CID 118645953

IUPAC4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cc1O
InChIInChI=1S/C26H27N7O/c1-17-22(34)14-20(16-29-17)24-23(19-6-4-18(15-27)5-7-19)30-26(25-28-10-13-33(24)25)32-11-8-21(9-12-32)31(2)3/h4-7,10,13-14,16,21,34H,8-9,11-12H2,1-3H3
InChIKeyQKCTZILCNINUBW-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.87
Rot. Bonds4

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

4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645953) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645953
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cc1O
InChIInChI=1S/C26H27N7O/c1-17-22(34)14-20(16-29-17)24-23(19-6-4-18(15-27)5-7-19)30-26(25-28-10-13-33(24)25)32-11-8-21(9-12-32)31(2)3/h4-7,10,13-14,16,21,34H,8-9,11-12H2,1-3H3
InChIKeyQKCTZILCNINUBW-UHFFFAOYSA-N
XLogP3.87
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
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-hydroxy-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-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645953) is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-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-hydroxy-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-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is Cc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)c3nccn23)cc1O.
What is the InChIKey of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is QKCTZILCNINUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-17-22(34)14-20(16-29-17)24-23(19-6-4-18(15-27)5-7-19)30-26(25-28-10-13-33(24)25)32-11-8-21(9-12-32)31(2)3/h4-7,10,13-14,16,21,34H,8-9,11-12H2,1-3H3.
What are the key properties of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 453.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 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-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).