N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

C22H14F4N8O — CID 118551220

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cnc(C(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H14F4N8O/c1-33-10-15(19(32-33)12-2-4-14(23)5-3-12)16-6-7-18-29-17(11-34(18)31-16)30-20(35)13-8-27-21(28-9-13)22(24,25)26/h2-11H,1H3,(H,30,35)
InChIKeyNNTQIPLVGISCBT-UHFFFAOYSA-N
MW482.40 g/mol
LogP4.00
Rot. Bonds4

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 118551220) has the molecular formula C22H14F4N8O and a molecular weight of 482.40 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID118551220
Molecular FormulaC22H14F4N8O
Molecular Weight482.40 g/mol
Exact Mass482.12
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4cnc(C(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H14F4N8O/c1-33-10-15(19(32-33)12-2-4-14(23)5-3-12)16-6-7-18-29-17(11-34(18)31-16)30-20(35)13-8-27-21(28-9-13)22(24,25)26/h2-11H,1H3,(H,30,35)
InChIKeyNNTQIPLVGISCBT-UHFFFAOYSA-N
XLogP4.00
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 118551220) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4cnc(C(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is NNTQIPLVGISCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N8O/c1-33-10-15(19(32-33)12-2-4-14(23)5-3-12)16-6-7-18-29-17(11-34(18)31-16)30-20(35)13-8-27-21(28-9-13)22(24,25)26/h2-11H,1H3,(H,30,35).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 482.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 118551220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).