N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide

C29H23FN6O4 — CID 72737559

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(F)c1
InChIInChI=1S/C29H23FN6O4/c1-17-13-14-35(20-5-3-2-4-6-20)29(39)26(17)28(38)31-19-9-10-22(21(30)15-19)40-25-12-11-24-32-23(16-36(24)34-25)33-27(37)18-7-8-18/h2-6,9-16,18H,7-8H2,1H3,(H,31,38)(H,33,37)
InChIKeyGLHCZNFHZBSVML-UHFFFAOYSA-N
MW538.54 g/mol
LogP4.72
Rot. Bonds7

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 72737559) has the molecular formula C29H23FN6O4 and a molecular weight of 538.54 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID72737559
Molecular FormulaC29H23FN6O4
Molecular Weight538.54 g/mol
Exact Mass538.18
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(F)c1
InChIInChI=1S/C29H23FN6O4/c1-17-13-14-35(20-5-3-2-4-6-20)29(39)26(17)28(38)31-19-9-10-22(21(30)15-19)40-25-12-11-24-32-23(16-36(24)34-25)33-27(37)18-7-8-18/h2-6,9-16,18H,7-8H2,1H3,(H,31,38)(H,33,37)
InChIKeyGLHCZNFHZBSVML-UHFFFAOYSA-N
XLogP4.72
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide (CID 72737559) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide is Cc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(F)c1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is GLHCZNFHZBSVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O4/c1-17-13-14-35(20-5-3-2-4-6-20)29(39)26(17)28(38)31-19-9-10-22(21(30)15-19)40-25-12-11-24-32-23(16-36(24)34-25)33-27(37)18-7-8-18/h2-6,9-16,18H,7-8H2,1H3,(H,31,38)(H,33,37).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 538.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-4-methyl-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 72737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).