N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide

C23H16FN7O — CID 59759543

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3cnccn3)c2)ccc1F
InChIInChI=1S/C23H16FN7O/c1-14-11-15(4-5-17(14)24)21-22(31-20(30-21)3-2-7-28-31)16-6-8-27-19(12-16)29-23(32)18-13-25-9-10-26-18/h2-13H,1H3,(H,27,29,32)
InChIKeyPDTPPCLILZXBFU-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.95
Rot. Bonds4

About N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 59759543) has the molecular formula C23H16FN7O and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID59759543
Molecular FormulaC23H16FN7O
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3cnccn3)c2)ccc1F
InChIInChI=1S/C23H16FN7O/c1-14-11-15(4-5-17(14)24)21-22(31-20(30-21)3-2-7-28-31)16-6-8-27-19(12-16)29-23(32)18-13-25-9-10-26-18/h2-13H,1H3,(H,27,29,32)
InChIKeyPDTPPCLILZXBFU-UHFFFAOYSA-N
XLogP3.95
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide (CID 59759543) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3cnccn3)c2)ccc1F.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is PDTPPCLILZXBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O/c1-14-11-15(4-5-17(14)24)21-22(31-20(30-21)3-2-7-28-31)16-6-8-27-19(12-16)29-23(32)18-13-25-9-10-26-18/h2-13H,1H3,(H,27,29,32).
What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 59759543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).