N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide

C21H21F3N6O4 — CID 137413327

IUPACN-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(NC(=O)c2cn3nc(OCC(F)(F)F)ccc3n2)CC1
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)11-33-17-8-7-16-28-15(10-30(16)29-17)19(32)27-12-3-5-13(6-4-12)34-20-14(18(25)31)2-1-9-26-20/h1-2,7-10,12-13H,3-6,11H2,(H2,25,31)(H,27,32)
InChIKeyVNGTZVWEJCNZQR-UHFFFAOYSA-N
MW478.43 g/mol
LogP2.28
Rot. Bonds7

About N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide

N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 137413327) has the molecular formula C21H21F3N6O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID137413327
Molecular FormulaC21H21F3N6O4
Molecular Weight478.43 g/mol
Exact Mass478.16
IUPAC NameN-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(NC(=O)c2cn3nc(OCC(F)(F)F)ccc3n2)CC1
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)11-33-17-8-7-16-28-15(10-30(16)29-17)19(32)27-12-3-5-13(6-4-12)34-20-14(18(25)31)2-1-9-26-20/h1-2,7-10,12-13H,3-6,11H2,(H2,25,31)(H,27,32)
InChIKeyVNGTZVWEJCNZQR-UHFFFAOYSA-N
XLogP2.28
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide (CID 137413327) is N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide is NC(=O)c1cccnc1OC1CCC(NC(=O)c2cn3nc(OCC(F)(F)F)ccc3n2)CC1.
What is the InChIKey of N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is VNGTZVWEJCNZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O4/c22-21(23,24)11-33-17-8-7-16-28-15(10-30(16)29-17)19(32)27-12-3-5-13(6-4-12)34-20-14(18(25)31)2-1-9-26-20/h1-2,7-10,12-13H,3-6,11H2,(H2,25,31)(H,27,32).
What are the key properties of N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide?
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 478.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 137413327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).