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

C20H19FN6O2 — CID 122510798

IUPAC6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C20H19FN6O2/c1-2-14(10-28)26-11-24-18(12-3-5-13(21)6-4-12)19(26)15-7-8-17-23-9-16(20(22)29)27(17)25-15/h3-9,11,14,28H,2,10H2,1H3,(H2,22,29)/t14-/m0/s1
InChIKeyCEPKHNKVEHZNAA-AWEZNQCLSA-N
MW394.41 g/mol
LogP2.44
Rot. Bonds6

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

6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510798) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510798
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C20H19FN6O2/c1-2-14(10-28)26-11-24-18(12-3-5-13(21)6-4-12)19(26)15-7-8-17-23-9-16(20(22)29)27(17)25-15/h3-9,11,14,28H,2,10H2,1H3,(H2,22,29)/t14-/m0/s1
InChIKeyCEPKHNKVEHZNAA-AWEZNQCLSA-N
XLogP2.44
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.44
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-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510798) is 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC[C@@H](CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CEPKHNKVEHZNAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-2-14(10-28)26-11-24-18(12-3-5-13(21)6-4-12)19(26)15-7-8-17-23-9-16(20(22)29)27(17)25-15/h3-9,11,14,28H,2,10H2,1H3,(H2,22,29)/t14-/m0/s1.
What are the key properties of 6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.44, 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-[(2S)-1-hydroxybutan-2-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).