4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

C16H16ClF3N6O — CID 87408771

IUPAC4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)cc(Cl)nn2c1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C16H16ClF3N6O/c1-10-14(11-7-21-25(8-11)9-16(18,19)20)26-15(22-10)12(6-13(17)23-26)24-2-4-27-5-3-24/h6-8H,2-5,9H2,1H3
InChIKeyPIOWDKDLFQRXGE-UHFFFAOYSA-N
MW400.79 g/mol
LogP2.95
Rot. Bonds3

About 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 87408771) has the molecular formula C16H16ClF3N6O and a molecular weight of 400.79 g/mol. Its IUPAC name is 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID87408771
Molecular FormulaC16H16ClF3N6O
Molecular Weight400.79 g/mol
Exact Mass400.10
IUPAC Name4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)cc(Cl)nn2c1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C16H16ClF3N6O/c1-10-14(11-7-21-25(8-11)9-16(18,19)20)26-15(22-10)12(6-13(17)23-26)24-2-4-27-5-3-24/h6-8H,2-5,9H2,1H3
InChIKeyPIOWDKDLFQRXGE-UHFFFAOYSA-N
XLogP2.95
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 87408771) is 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is Cc1nc2c(N3CCOCC3)cc(Cl)nn2c1-c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is PIOWDKDLFQRXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N6O/c1-10-14(11-7-21-25(8-11)9-16(18,19)20)26-15(22-10)12(6-13(17)23-26)24-2-4-27-5-3-24/h6-8H,2-5,9H2,1H3.
What are the key properties of 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 400.79 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 87408771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).