N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide

C26H20F2N4O5 — CID 178180015

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cc5cn[nH]c5cc4OC)cc3F)c2cc1OC
InChIInChI=1S/C26H20F2N4O5/c1-34-22-10-19-13(12-30-32-19)6-16(22)26(33)31-14-7-17(27)25(18(28)8-14)37-21-4-5-29-20-11-24(36-3)23(35-2)9-15(20)21/h4-12H,1-3H3,(H,30,32)(H,31,33)
InChIKeyLPRJHHKLAQDXNR-UHFFFAOYSA-N
MW506.47 g/mol
LogP5.46
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 178180015) has the molecular formula C26H20F2N4O5 and a molecular weight of 506.47 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
PubChem CID178180015
Molecular FormulaC26H20F2N4O5
Molecular Weight506.47 g/mol
Exact Mass506.14
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cc5cn[nH]c5cc4OC)cc3F)c2cc1OC
InChIInChI=1S/C26H20F2N4O5/c1-34-22-10-19-13(12-30-32-19)6-16(22)26(33)31-14-7-17(27)25(18(28)8-14)37-21-4-5-29-20-11-24(36-3)23(35-2)9-15(20)21/h4-12H,1-3H3,(H,30,32)(H,31,33)
InChIKeyLPRJHHKLAQDXNR-UHFFFAOYSA-N
XLogP5.46
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.47
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567513
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methoxybenzamide
CID 59813624
(E,2E)-N-[3,5-difluoro-4-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enamide
CID 168942983
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide (CID 178180015) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide is COc1cc2nccc(Oc3c(F)cc(NC(=O)c4cc5cn[nH]c5cc4OC)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is LPRJHHKLAQDXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O5/c1-34-22-10-19-13(12-30-32-19)6-16(22)26(33)31-14-7-17(27)25(18(28)8-14)37-21-4-5-29-20-11-24(36-3)23(35-2)9-15(20)21/h4-12H,1-3H3,(H,30,32)(H,31,33).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 506.47 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 178180015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).