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

C18H14ClFN6O2 — CID 122510715

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12
InChIInChI=1S/C18H14ClFN6O2/c19-11-7-10(1-2-12(11)20)16-17(25(5-6-27)9-23-16)13-3-4-15-22-8-14(18(21)28)26(15)24-13/h1-4,7-9,27H,5-6H2,(H2,21,28)
InChIKeyGZUQQNFNGSZHRU-UHFFFAOYSA-N
MW400.80 g/mol
LogP2.14
Rot. Bonds5

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

6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510715) has the molecular formula C18H14ClFN6O2 and a molecular weight of 400.80 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510715
Molecular FormulaC18H14ClFN6O2
Molecular Weight400.80 g/mol
Exact Mass400.09
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12
InChIInChI=1S/C18H14ClFN6O2/c19-11-7-10(1-2-12(11)20)16-17(25(5-6-27)9-23-16)13-3-4-15-22-8-14(18(21)28)26(15)24-13/h1-4,7-9,27H,5-6H2,(H2,21,28)
InChIKeyGZUQQNFNGSZHRU-UHFFFAOYSA-N
XLogP2.14
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510715) is 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GZUQQNFNGSZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O2/c19-11-7-10(1-2-12(11)20)16-17(25(5-6-27)9-23-16)13-3-4-15-22-8-14(18(21)28)26(15)24-13/h1-4,7-9,27H,5-6H2,(H2,21,28).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 400.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).