5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

C44H26F5N9O2 — CID 144555323

IUPAC5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc(F)cc(-n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)c2)c1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C44H26F5N9O2/c45-30-13-28(24-3-1-5-32(15-24)53-42(59)40-35-17-25(6-9-37(35)55-56-40)27-4-2-12-50-20-27)16-34(19-30)58-38-10-7-26(29-14-31(46)22-51-21-29)18-36(38)41(57-58)43(60)54-33-8-11-39(52-23-33)44(47,48)49/h1-23H,(H,53,59)(H,54,60)(H,55,56)
InChIKeyYGZGGTGYAANMTC-UHFFFAOYSA-N
MW807.74 g/mol
LogP9.89
Rot. Bonds8

About 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide

5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 144555323) has the molecular formula C44H26F5N9O2 and a molecular weight of 807.74 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID144555323
Molecular FormulaC44H26F5N9O2
Molecular Weight807.74 g/mol
Exact Mass807.21
IUPAC Name5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc(F)cc(-n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)c2)c1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C44H26F5N9O2/c45-30-13-28(24-3-1-5-32(15-24)53-42(59)40-35-17-25(6-9-37(35)55-56-40)27-4-2-12-50-20-27)16-34(19-30)58-38-10-7-26(29-14-31(46)22-51-21-29)18-36(38)41(57-58)43(60)54-33-8-11-39(52-23-33)44(47,48)49/h1-23H,(H,53,59)(H,54,60)(H,55,56)
InChIKeyYGZGGTGYAANMTC-UHFFFAOYSA-N
XLogP9.89
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.74
LogP ≤ 59.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
N-(1-(3-cyanobenzyl)-1H-pyrazol-4-yl)-6-(pyridin-4-yl)-1H-indazole-3-carboxamide
CID 71259506
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyridin-3-yl-1H-indazole-3-carboxamide
CID 71259773
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
N-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide
CID 156734148
1-Ethyl-3-methyl-N-[3-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]carbonyl]phenyl]-1H-pyrazole-5-carboxamide
CID 9806464
2-ethyl-N-[4-fluoro-2-methyl-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 9891972
N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
CID 9911377
5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide
CID 9933361
2,5-dimethyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 9955996

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide (CID 144555323) is 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is O=C(Nc1cccc(-c2cc(F)cc(-n3nc(C(=O)Nc4ccc(C(F)(F)F)nc4)c4cc(-c5cncc(F)c5)ccc43)c2)c1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is YGZGGTGYAANMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F5N9O2/c45-30-13-28(24-3-1-5-32(15-24)53-42(59)40-35-17-25(6-9-37(35)55-56-40)27-4-2-12-50-20-27)16-34(19-30)58-38-10-7-26(29-14-31(46)22-51-21-29)18-36(38)41(57-58)43(60)54-33-8-11-39(52-23-33)44(47,48)49/h1-23H,(H,53,59)(H,54,60)(H,55,56).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 807.74 g/mol, XLogP of 9.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-1-[3-fluoro-5-[3-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]phenyl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 144555323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).