N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

C61H68FN11O6 — CID 123580115

IUPACN-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCN(CCOc1cc(-c2cc3[nH]nc(C(=O)N(C)CCOc4ccccc4C(C)(C)C)c3cc2F)ccc1C(C)(C)C)C(=O)c1cn2ncc(-c3ccc(OCCN(C)C(=O)c4[nH]nc5ncccc45)c(C(C)(C)C)c3)cc2n1
InChIInChI=1S/C61H68FN11O6/c1-59(2,3)43-17-13-14-18-49(43)77-27-25-72(12)58(76)54-42-33-46(62)41(34-47(42)66-67-54)38-19-21-44(60(4,5)6)51(31-38)79-29-24-70(10)56(74)48-36-73-52(65-48)32-39(35-64-73)37-20-22-50(45(30-37)61(7,8)9)78-28-26-71(11)57(75)53-40-16-15-23-63-55(40)69-68-53/h13-23,30-36H,24-29H2,1-12H3,(H,66,67)(H,63,68,69)
InChIKeyYCGAFHCBJBMFRE-UHFFFAOYSA-N
MW1070.28 g/mol
LogP10.70
Rot. Bonds17

About N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 123580115) has the molecular formula C61H68FN11O6 and a molecular weight of 1070.28 g/mol. Its IUPAC name is N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID123580115
Molecular FormulaC61H68FN11O6
Molecular Weight1070.28 g/mol
Exact Mass1069.53
IUPAC NameN-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCN(CCOc1cc(-c2cc3[nH]nc(C(=O)N(C)CCOc4ccccc4C(C)(C)C)c3cc2F)ccc1C(C)(C)C)C(=O)c1cn2ncc(-c3ccc(OCCN(C)C(=O)c4[nH]nc5ncccc45)c(C(C)(C)C)c3)cc2n1
InChIInChI=1S/C61H68FN11O6/c1-59(2,3)43-17-13-14-18-49(43)77-27-25-72(12)58(76)54-42-33-46(62)41(34-47(42)66-67-54)38-19-21-44(60(4,5)6)51(31-38)79-29-24-70(10)56(74)48-36-73-52(65-48)32-39(35-64-73)37-20-22-50(45(30-37)61(7,8)9)78-28-26-71(11)57(75)53-40-16-15-23-63-55(40)69-68-53/h13-23,30-36H,24-29H2,1-12H3,(H,66,67)(H,63,68,69)
InChIKeyYCGAFHCBJBMFRE-UHFFFAOYSA-N
XLogP10.70
TPSA189.06 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.28
LogP ≤ 510.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-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 N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (CID 123580115) is N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is CN(CCOc1cc(-c2cc3[nH]nc(C(=O)N(C)CCOc4ccccc4C(C)(C)C)c3cc2F)ccc1C(C)(C)C)C(=O)c1cn2ncc(-c3ccc(OCCN(C)C(=O)c4[nH]nc5ncccc45)c(C(C)(C)C)c3)cc2n1.
What is the InChIKey of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is YCGAFHCBJBMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H68FN11O6/c1-59(2,3)43-17-13-14-18-49(43)77-27-25-72(12)58(76)54-42-33-46(62)41(34-47(42)66-67-54)38-19-21-44(60(4,5)6)51(31-38)79-29-24-70(10)56(74)48-36-73-52(65-48)32-39(35-64-73)37-20-22-50(45(30-37)61(7,8)9)78-28-26-71(11)57(75)53-40-16-15-23-63-55(40)69-68-53/h13-23,30-36H,24-29H2,1-12H3,(H,66,67)(H,63,68,69).
What are the key properties of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?
N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 1070.28 g/mol, XLogP of 10.70, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[methyl(2H-pyrazolo[3,4-b]pyridine-3-carbonyl)amino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 123580115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).