5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

C30H32F3N7O3 — CID 152988626

IUPAC5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4cnn(C5CCN(C(=O)N6CCOCC6)CC5)c4)cnn23)c1
InChIInChI=1S/C30H32F3N7O3/c31-30(32,33)7-4-26(41)15-21-2-1-3-22(14-21)27-19-34-28-16-23(17-36-40(27)28)24-18-35-39(20-24)25-5-8-37(9-6-25)29(42)38-10-12-43-13-11-38/h1-3,14,16-20,25H,4-13,15H2
InChIKeyUVUXCVFQHAPTHJ-UHFFFAOYSA-N
MW595.63 g/mol
LogP4.80
Rot. Bonds7

About 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (PubChem CID 152988626) has the molecular formula C30H32F3N7O3 and a molecular weight of 595.63 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
PubChem CID152988626
Molecular FormulaC30H32F3N7O3
Molecular Weight595.63 g/mol
Exact Mass595.25
IUPAC Name5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4cnn(C5CCN(C(=O)N6CCOCC6)CC5)c4)cnn23)c1
InChIInChI=1S/C30H32F3N7O3/c31-30(32,33)7-4-26(41)15-21-2-1-3-22(14-21)27-19-34-28-16-23(17-36-40(27)28)24-18-35-39(20-24)25-5-8-37(9-6-25)29(42)38-10-12-43-13-11-38/h1-3,14,16-20,25H,4-13,15H2
InChIKeyUVUXCVFQHAPTHJ-UHFFFAOYSA-N
XLogP4.80
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.63
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one with MolForge

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Related Compounds

Vabametkib
CID 73504719
N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
CID 130363544
CID 130363544
US10774086, Example 25
CID 134551606
US10774086, Example 26
CID 139465943
N-(3-(2-morpholinopyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 24768568
N-(3-(3-(2-morpholinopyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880141
N-(3-(2-(2-(2-morpholinoethylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883717
N-(3-(2-(2-(3-morpholinopropylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883718
(5S)-3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 56645938
(5R)-3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 56645940
1-[4-(8-Morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-pyridin-3-ylurea
CID 73054211

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one (CID 152988626) is 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4cnn(C5CCN(C(=O)N6CCOCC6)CC5)c4)cnn23)c1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
The InChIKey is UVUXCVFQHAPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O3/c31-30(32,33)7-4-26(41)15-21-2-1-3-22(14-21)27-19-34-28-16-23(17-36-40(27)28)24-18-35-39(20-24)25-5-8-37(9-6-25)29(42)38-10-12-43-13-11-38/h1-3,14,16-20,25H,4-13,15H2.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one has a molecular weight of 595.63 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 152988626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).