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

C28H22F5N9O2 — CID 118538689

IUPAC2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)NCCC(F)(F)F)C4)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C28H22F5N9O2/c29-18-3-1-16(2-4-18)24-25(41-12-11-40(15-23(41)38-24)27(44)35-10-8-28(31,32)33)19-5-6-22-36-21(14-42(22)39-19)37-26(43)17-7-9-34-20(30)13-17/h1-7,9,13-14H,8,10-12,15H2,(H,35,44)(H,37,43)
InChIKeyLJJGLNMORJEQRX-UHFFFAOYSA-N
MW611.54 g/mol
LogP4.66
Rot. Bonds6

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

2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 118538689) has the molecular formula C28H22F5N9O2 and a molecular weight of 611.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID118538689
Molecular FormulaC28H22F5N9O2
Molecular Weight611.54 g/mol
Exact Mass611.18
IUPAC Name2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)NCCC(F)(F)F)C4)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C28H22F5N9O2/c29-18-3-1-16(2-4-18)24-25(41-12-11-40(15-23(41)38-24)27(44)35-10-8-28(31,32)33)19-5-6-22-36-21(14-42(22)39-19)37-26(43)17-7-9-34-20(30)13-17/h1-7,9,13-14H,8,10-12,15H2,(H,35,44)(H,37,43)
InChIKeyLJJGLNMORJEQRX-UHFFFAOYSA-N
XLogP4.66
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 118538689) is 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCN(C(=O)NCCC(F)(F)F)C4)ccc2n1)c1ccnc(F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is LJJGLNMORJEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F5N9O2/c29-18-3-1-16(2-4-18)24-25(41-12-11-40(15-23(41)38-24)27(44)35-10-8-28(31,32)33)19-5-6-22-36-21(14-42(22)39-19)37-26(43)17-7-9-34-20(30)13-17/h1-7,9,13-14H,8,10-12,15H2,(H,35,44)(H,37,43).
What are the key properties of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 611.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 118538689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).