6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C20H15F4N5O — CID 162614929

IUPAC6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ccn3CCC(F)(F)F)nn12
InChIInChI=1S/C20H15F4N5O/c21-13-3-1-12(2-4-13)14-7-9-28(10-8-20(22,23)24)18(14)15-5-6-17-26-11-16(19(25)30)29(17)27-15/h1-7,9,11H,8,10H2,(H2,25,30)
InChIKeyKBNGRPDKFIGABX-UHFFFAOYSA-N
MW417.37 g/mol
LogP4.06
Rot. Bonds5

About 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162614929) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162614929
Molecular FormulaC20H15F4N5O
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ccn3CCC(F)(F)F)nn12
InChIInChI=1S/C20H15F4N5O/c21-13-3-1-12(2-4-13)14-7-9-28(10-8-20(22,23)24)18(14)15-5-6-17-26-11-16(19(25)30)29(17)27-15/h1-7,9,11H,8,10H2,(H2,25,30)
InChIKeyKBNGRPDKFIGABX-UHFFFAOYSA-N
XLogP4.06
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162614929) is 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ccn3CCC(F)(F)F)nn12.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is KBNGRPDKFIGABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O/c21-13-3-1-12(2-4-13)14-7-9-28(10-8-20(22,23)24)18(14)15-5-6-17-26-11-16(19(25)30)29(17)27-15/h1-7,9,11H,8,10H2,(H2,25,30).
What are the key properties of 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-(3,3,3-trifluoropropyl)pyrrol-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162614929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).