2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide

C25H19ClF2N8O2 — CID 59233093

IUPAC2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1Cl
InChIInChI=1S/C25H19ClF2N8O2/c1-29-23(38)16-6-4-14(10-17(16)26)15-5-8-21-32-33-24(35(21)11-15)25(27,28)18-7-9-20-30-19(12-36(20)34-18)31-22(37)13-2-3-13/h4-13H,2-3H2,1H3,(H,29,38)(H,31,37)
InChIKeyCUWFHICDHGYMOM-UHFFFAOYSA-N
MW536.93 g/mol
LogP3.94
Rot. Bonds6

About 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide

2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide (PubChem CID 59233093) has the molecular formula C25H19ClF2N8O2 and a molecular weight of 536.93 g/mol. Its IUPAC name is 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide
PubChem CID59233093
Molecular FormulaC25H19ClF2N8O2
Molecular Weight536.93 g/mol
Exact Mass536.13
IUPAC Name2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1Cl
InChIInChI=1S/C25H19ClF2N8O2/c1-29-23(38)16-6-4-14(10-17(16)26)15-5-8-21-32-33-24(35(21)11-15)25(27,28)18-7-9-20-30-19(12-36(20)34-18)31-22(37)13-2-3-13/h4-13H,2-3H2,1H3,(H,29,38)(H,31,37)
InChIKeyCUWFHICDHGYMOM-UHFFFAOYSA-N
XLogP3.94
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.93
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide (CID 59233093) is 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide?
The InChIKey is CUWFHICDHGYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N8O2/c1-29-23(38)16-6-4-14(10-17(16)26)15-5-8-21-32-33-24(35(21)11-15)25(27,28)18-7-9-20-30-19(12-36(20)34-18)31-22(37)13-2-3-13/h4-13H,2-3H2,1H3,(H,29,38)(H,31,37).
What are the key properties of 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide?
2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide has a molecular weight of 536.93 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-difluoromethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 59233093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).