3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C17H12ClFN6O — CID 118863065

IUPAC3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C17H12ClFN6O/c1-24-9-11(8-21-24)22-17(26)15-16(10-4-5-12(18)13(19)7-10)25-14(23-15)3-2-6-20-25/h2-9H,1H3,(H,22,26)
InChIKeyLSCITVBMOOTYOS-UHFFFAOYSA-N
MW370.78 g/mol
LogP3.17
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118863065) has the molecular formula C17H12ClFN6O and a molecular weight of 370.78 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118863065
Molecular FormulaC17H12ClFN6O
Molecular Weight370.78 g/mol
Exact Mass370.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C17H12ClFN6O/c1-24-9-11(8-21-24)22-17(26)15-16(10-4-5-12(18)13(19)7-10)25-14(23-15)3-2-6-20-25/h2-9H,1H3,(H,22,26)
InChIKeyLSCITVBMOOTYOS-UHFFFAOYSA-N
XLogP3.17
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 118863065) is 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide is Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is LSCITVBMOOTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O/c1-24-9-11(8-21-24)22-17(26)15-16(10-4-5-12(18)13(19)7-10)25-14(23-15)3-2-6-20-25/h2-9H,1H3,(H,22,26).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 370.78 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118863065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).