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

C26H20FN5O — CID 59759659

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)c1
InChIInChI=1S/C26H20FN5O/c1-16-5-3-6-20(13-16)26(33)30-22-15-19(10-12-28-22)25-24(18-8-9-21(27)17(2)14-18)31-23-7-4-11-29-32(23)25/h3-15H,1-2H3,(H,28,30,33)
InChIKeyMWUPDRLQBJKIBA-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.47
Rot. Bonds4

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

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide (PubChem CID 59759659) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide
PubChem CID59759659
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)c1
InChIInChI=1S/C26H20FN5O/c1-16-5-3-6-20(13-16)26(33)30-22-15-19(10-12-28-22)25-24(18-8-9-21(27)17(2)14-18)31-23-7-4-11-29-32(23)25/h3-15H,1-2H3,(H,28,30,33)
InChIKeyMWUPDRLQBJKIBA-UHFFFAOYSA-N
XLogP5.47
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-3-methylbenzamide?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide (CID 59759659) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-c3c(-c4ccc(F)c(C)c4)nc4cccnn34)ccn2)c1.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide?
The InChIKey is MWUPDRLQBJKIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-16-5-3-6-20(13-16)26(33)30-22-15-19(10-12-28-22)25-24(18-8-9-21(27)17(2)14-18)31-23-7-4-11-29-32(23)25/h3-15H,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]-3-methylbenzamide?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylbenzamide has a molecular weight of 437.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-3-methylbenzamide is sourced from PubChem (CID 59759659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).