5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide

C29H27F6N7O3 — CID 155074128

IUPAC5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)N[C@H](C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C29H27F6N7O3/c1-16-21(27(44)37-17(2)20-12-19(3-4-22(20)30)45-29(33,34)35)11-18(13-36-16)23-5-6-25-38-24(14-42(25)40-23)39-26(43)15-41-9-7-28(31,32)8-10-41/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,37,44)(H,39,43)/t17-/m1/s1
InChIKeySDRZUDFCUDXQSL-QGZVFWFLSA-N
MW635.57 g/mol
LogP5.30
Rot. Bonds8

About 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide

5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074128) has the molecular formula C29H27F6N7O3 and a molecular weight of 635.57 g/mol. Its IUPAC name is 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
PubChem CID155074128
Molecular FormulaC29H27F6N7O3
Molecular Weight635.57 g/mol
Exact Mass635.21
IUPAC Name5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)N[C@H](C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C29H27F6N7O3/c1-16-21(27(44)37-17(2)20-12-19(3-4-22(20)30)45-29(33,34)35)11-18(13-36-16)23-5-6-25-38-24(14-42(25)40-23)39-26(43)15-41-9-7-28(31,32)8-10-41/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,37,44)(H,39,43)/t17-/m1/s1
InChIKeySDRZUDFCUDXQSL-QGZVFWFLSA-N
XLogP5.30
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide (CID 155074128) is 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccc3nc(NC(=O)CN4CCC(F)(F)CC4)cn3n2)cc1C(=O)N[C@H](C)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is SDRZUDFCUDXQSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C29H27F6N7O3/c1-16-21(27(44)37-17(2)20-12-19(3-4-22(20)30)45-29(33,34)35)11-18(13-36-16)23-5-6-25-38-24(14-42(25)40-23)39-26(43)15-41-9-7-28(31,32)8-10-41/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,37,44)(H,39,43)/t17-/m1/s1.
What are the key properties of 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide?
5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 635.57 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).