N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C24H19ClFN7O — CID 118538640

IUPACN-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCCn1c(C)nc(-c2ccc(Cl)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C24H19ClFN7O/c1-3-32-14(2)28-22(15-4-6-17(25)7-5-15)23(32)18-8-9-21-29-20(13-33(21)31-18)30-24(34)16-10-11-27-19(26)12-16/h4-13H,3H2,1-2H3,(H,30,34)
InChIKeyHFOCSKCNUVWPLY-UHFFFAOYSA-N
MW475.92 g/mol
LogP5.03
Rot. Bonds5

About N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538640) has the molecular formula C24H19ClFN7O and a molecular weight of 475.92 g/mol. Its IUPAC name is N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118538640
Molecular FormulaC24H19ClFN7O
Molecular Weight475.92 g/mol
Exact Mass475.13
IUPAC NameN-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCCn1c(C)nc(-c2ccc(Cl)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C24H19ClFN7O/c1-3-32-14(2)28-22(15-4-6-17(25)7-5-15)23(32)18-8-9-21-29-20(13-33(21)31-18)30-24(34)16-10-11-27-19(26)12-16/h4-13H,3H2,1-2H3,(H,30,34)
InChIKeyHFOCSKCNUVWPLY-UHFFFAOYSA-N
XLogP5.03
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.92
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538640) is N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is CCn1c(C)nc(-c2ccc(Cl)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.
What is the InChIKey of N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is HFOCSKCNUVWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN7O/c1-3-32-14(2)28-22(15-4-6-17(25)7-5-15)23(32)18-8-9-21-29-20(13-33(21)31-18)30-24(34)16-10-11-27-19(26)12-16/h4-13H,3H2,1-2H3,(H,30,34).
What are the key properties of N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 475.92 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-chlorophenyl)-3-ethyl-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).