3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

C20H13ClN6O — CID 90157437

IUPAC3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(Cl)nc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C20H13ClN6O/c1-26(15-5-2-13(8-22)3-6-15)20(28)16-12-27-17(10-25-19(27)11-23-16)14-4-7-18(21)24-9-14/h2-7,9-12H,1H3
InChIKeyGELPLCWUNHFMSU-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.59
Rot. Bonds3

About 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide

3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157437) has the molecular formula C20H13ClN6O and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157437
Molecular FormulaC20H13ClN6O
Molecular Weight388.82 g/mol
Exact Mass388.08
IUPAC Name3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(Cl)nc3)cnc2cn1)c1ccc(C#N)cc1
InChIInChI=1S/C20H13ClN6O/c1-26(15-5-2-13(8-22)3-6-15)20(28)16-12-27-17(10-25-19(27)11-23-16)14-4-7-18(21)24-9-14/h2-7,9-12H,1H3
InChIKeyGELPLCWUNHFMSU-UHFFFAOYSA-N
XLogP3.59
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 90157437) is 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(Cl)nc3)cnc2cn1)c1ccc(C#N)cc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is GELPLCWUNHFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6O/c1-26(15-5-2-13(8-22)3-6-15)20(28)16-12-27-17(10-25-19(27)11-23-16)14-4-7-18(21)24-9-14/h2-7,9-12H,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide?
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 388.82 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).