N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C20H17ClFN5O2 — CID 134790230

IUPACN-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C20H17ClFN5O2/c21-17-6-5-13(9-23-17)10-24-19(28)16-11-26-7-8-27(12-18(26)25-16)20(29)14-3-1-2-4-15(14)22/h1-6,9,11H,7-8,10,12H2,(H,24,28)
InChIKeyYYLKQZPCNZTKFK-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.66
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 134790230) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID134790230
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C20H17ClFN5O2/c21-17-6-5-13(9-23-17)10-24-19(28)16-11-26-7-8-27(12-18(26)25-16)20(29)14-3-1-2-4-15(14)22/h1-6,9,11H,7-8,10,12H2,(H,24,28)
InChIKeyYYLKQZPCNZTKFK-UHFFFAOYSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 134790230) is N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)nc1)c1cn2c(n1)CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YYLKQZPCNZTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c21-17-6-5-13(9-23-17)10-24-19(28)16-11-26-7-8-27(12-18(26)25-16)20(29)14-3-1-2-4-15(14)22/h1-6,9,11H,7-8,10,12H2,(H,24,28).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-7-(2-fluorobenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 134790230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).