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6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C19H17FN6O2 — CID 122510603

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)nn12
InChIInChI=1S/C19H17FN6O2/c20-13-4-2-12(3-5-13)17-18(25(11-23-17)8-1-9-27)14-6-7-16-22-10-15(19(21)28)26(16)24-14/h2-7,10-11,27H,1,8-9H2,(H2,21,28)
InChIKeyZVXZLMXBEZHKDX-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.88
Rot. Bonds6

About 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510603) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510603
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)nn12
InChIInChI=1S/C19H17FN6O2/c20-13-4-2-12(3-5-13)17-18(25(11-23-17)8-1-9-27)14-6-7-16-22-10-15(19(21)28)26(16)24-14/h2-7,10-11,27H,1,8-9H2,(H2,21,28)
InChIKeyZVXZLMXBEZHKDX-UHFFFAOYSA-N
XLogP1.88
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510603) is 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)nn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZVXZLMXBEZHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-13-4-2-12(3-5-13)17-18(25(11-23-17)8-1-9-27)14-6-7-16-22-10-15(19(21)28)26(16)24-14/h2-7,10-11,27H,1,8-9H2,(H2,21,28).
What are the key properties of 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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