4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C28H28N8O — CID 118645903

IUPAC4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)c4nccn34)cnc21
InChIInChI=1S/C28H28N8O/c1-33(2)22-8-11-35(12-9-22)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(16-29)5-7-19)21-14-20-15-23(37)34(3)26(20)31-17-21/h4-7,10,13-14,17,22H,8-9,11-12,15H2,1-3H3
InChIKeyOVXOMATYQNJFRF-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.38
Rot. Bonds4

About 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118645903) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118645903
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)c4nccn34)cnc21
InChIInChI=1S/C28H28N8O/c1-33(2)22-8-11-35(12-9-22)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(16-29)5-7-19)21-14-20-15-23(37)34(3)26(20)31-17-21/h4-7,10,13-14,17,22H,8-9,11-12,15H2,1-3H3
InChIKeyOVXOMATYQNJFRF-UHFFFAOYSA-N
XLogP3.38
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118645903) is 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is CN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)c4nccn34)cnc21.
What is the InChIKey of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is OVXOMATYQNJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O/c1-33(2)22-8-11-35(12-9-22)28-27-30-10-13-36(27)25(24(32-28)19-6-4-18(16-29)5-7-19)21-14-20-15-23(37)34(3)26(20)31-17-21/h4-7,10,13-14,17,22H,8-9,11-12,15H2,1-3H3.
What are the key properties of 4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 492.59 g/mol, XLogP of 3.38, 4 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-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118645903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).