3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C25H25N7O — CID 90157372

IUPAC3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(NCC(C)(C)N)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C25H25N7O/c1-25(2,27)16-30-19-8-6-18(7-9-19)22-13-29-23-14-28-21(15-32(22)23)24(33)31(3)20-10-4-17(12-26)5-11-20/h4-11,13-15,30H,16,27H2,1-3H3
InChIKeyJVUPTGUTGYRUQR-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.69
Rot. Bonds6

About 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157372) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157372
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(NCC(C)(C)N)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C25H25N7O/c1-25(2,27)16-30-19-8-6-18(7-9-19)22-13-29-23-14-28-21(15-32(22)23)24(33)31(3)20-10-4-17(12-26)5-11-20/h4-11,13-15,30H,16,27H2,1-3H3
InChIKeyJVUPTGUTGYRUQR-UHFFFAOYSA-N
XLogP3.69
TPSA112.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157372) is 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(NCC(C)(C)N)cc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is JVUPTGUTGYRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-25(2,27)16-30-19-8-6-18(7-9-19)22-13-29-23-14-28-21(15-32(22)23)24(33)31(3)20-10-4-17(12-26)5-11-20/h4-11,13-15,30H,16,27H2,1-3H3.
What are the key properties of 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).