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

C25H19FN6O — CID 11546637

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)ccn1
InChIInChI=1S/C25H19FN6O/c1-15-12-17(5-6-20(15)26)23-24(32-22(31-23)4-3-9-29-32)18-7-11-28-21(14-18)30-25(33)19-8-10-27-16(2)13-19/h3-14H,1-2H3,(H,28,30,33)
InChIKeySMDNOKALZQOTCU-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.86
Rot. Bonds4

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

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide (PubChem CID 11546637) has the molecular formula C25H19FN6O and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide
PubChem CID11546637
Molecular FormulaC25H19FN6O
Molecular Weight438.47 g/mol
Exact Mass438.16
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)ccn1
InChIInChI=1S/C25H19FN6O/c1-15-12-17(5-6-20(15)26)23-24(32-22(31-23)4-3-9-29-32)18-7-11-28-21(14-18)30-25(33)19-8-10-27-16(2)13-19/h3-14H,1-2H3,(H,28,30,33)
InChIKeySMDNOKALZQOTCU-UHFFFAOYSA-N
XLogP4.86
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide (CID 11546637) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)ccn1.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide?
The InChIKey is SMDNOKALZQOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O/c1-15-12-17(5-6-20(15)26)23-24(32-22(31-23)4-3-9-29-32)18-7-11-28-21(14-18)30-25(33)19-8-10-27-16(2)13-19/h3-14H,1-2H3,(H,28,30,33).
What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpyridine-4-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 11546637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).