N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide

C25H22N6O — CID 90157607

IUPACN-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(N4CCCC4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C25H22N6O/c1-29(20-8-4-18(14-26)5-9-20)25(32)22-17-31-23(15-28-24(31)16-27-22)19-6-10-21(11-7-19)30-12-2-3-13-30/h4-11,15-17H,2-3,12-13H2,1H3
InChIKeyUJTNARRCAMFCLA-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.14
Rot. Bonds4

About N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157607) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157607
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(N4CCCC4)cc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C25H22N6O/c1-29(20-8-4-18(14-26)5-9-20)25(32)22-17-31-23(15-28-24(31)16-27-22)19-6-10-21(11-7-19)30-12-2-3-13-30/h4-11,15-17H,2-3,12-13H2,1H3
InChIKeyUJTNARRCAMFCLA-UHFFFAOYSA-N
XLogP4.14
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157607) is N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(N4CCCC4)cc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is UJTNARRCAMFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-29(20-8-4-18(14-26)5-9-20)25(32)22-17-31-23(15-28-24(31)16-27-22)19-6-10-21(11-7-19)30-12-2-3-13-30/h4-11,15-17H,2-3,12-13H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).