N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C26H20F2N8O2 — CID 90240937

IUPACN-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1
InChIInChI=1S/C26H20F2N8O2/c1-15(37)34-10-11-35-23(14-34)32-24(16-2-4-18(27)5-3-16)25(35)19-6-7-22-30-21(13-36(22)33-19)31-26(38)17-8-9-29-20(28)12-17/h2-9,12-13H,10-11,14H2,1H3,(H,31,38)
InChIKeyKZJKNCMARYSOEM-UHFFFAOYSA-N
MW514.50 g/mol
LogP3.55
Rot. Bonds4

About N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 90240937) has the molecular formula C26H20F2N8O2 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID90240937
Molecular FormulaC26H20F2N8O2
Molecular Weight514.50 g/mol
Exact Mass514.17
IUPAC NameN-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1
InChIInChI=1S/C26H20F2N8O2/c1-15(37)34-10-11-35-23(14-34)32-24(16-2-4-18(27)5-3-16)25(35)19-6-7-22-30-21(13-36(22)33-19)31-26(38)17-8-9-29-20(28)12-17/h2-9,12-13H,10-11,14H2,1H3,(H,31,38)
InChIKeyKZJKNCMARYSOEM-UHFFFAOYSA-N
XLogP3.55
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 90240937) is N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1.
What is the InChIKey of N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is KZJKNCMARYSOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O2/c1-15(37)34-10-11-35-23(14-34)32-24(16-2-4-18(27)5-3-16)25(35)19-6-7-22-30-21(13-36(22)33-19)31-26(38)17-8-9-29-20(28)12-17/h2-9,12-13H,10-11,14H2,1H3,(H,31,38).
What are the key properties of N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 514.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 90240937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).