N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

C22H20FN7O3 — CID 24767979

IUPACN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1
InChIInChI=1S/C22H20FN7O3/c1-12-9-17(29(2)27-12)22(32)24-16-10-14(5-6-15(16)23)33-20-8-7-19-25-18(11-30(19)28-20)26-21(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,31)
InChIKeyQYVDIKNXRIDAGA-UHFFFAOYSA-N
MW449.45 g/mol
LogP3.30
Rot. Bonds6

About N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 24767979) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID24767979
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1
InChIInChI=1S/C22H20FN7O3/c1-12-9-17(29(2)27-12)22(32)24-16-10-14(5-6-15(16)23)33-20-8-7-19-25-18(11-30(19)28-20)26-21(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,31)
InChIKeyQYVDIKNXRIDAGA-UHFFFAOYSA-N
XLogP3.30
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 24767979) is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1.
What is the InChIKey of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QYVDIKNXRIDAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-12-9-17(29(2)27-12)22(32)24-16-10-14(5-6-15(16)23)33-20-8-7-19-25-18(11-30(19)28-20)26-21(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,31).
What are the key properties of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24767979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).