4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide

C25H20ClN5O4 — CID 11248850

IUPAC4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cc(Cl)ccn5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C25H20ClN5O4/c1-31-20-11-15(35-21-7-9-27-18-13-23(34-3)22(33-2)12-17(18)21)4-5-16(20)24(30-31)29-25(32)19-10-14(26)6-8-28-19/h4-13H,1-3H3,(H,29,30,32)
InChIKeyPGVQGRXAKLFXDO-UHFFFAOYSA-N
MW489.92 g/mol
LogP5.23
Rot. Bonds6

About 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide

4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide (PubChem CID 11248850) has the molecular formula C25H20ClN5O4 and a molecular weight of 489.92 g/mol. Its IUPAC name is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide
PubChem CID11248850
Molecular FormulaC25H20ClN5O4
Molecular Weight489.92 g/mol
Exact Mass489.12
IUPAC Name4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)c5cc(Cl)ccn5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C25H20ClN5O4/c1-31-20-11-15(35-21-7-9-27-18-13-23(34-3)22(33-2)12-17(18)21)4-5-16(20)24(30-31)29-25(32)19-10-14(26)6-8-28-19/h4-13H,1-3H3,(H,29,30,32)
InChIKeyPGVQGRXAKLFXDO-UHFFFAOYSA-N
XLogP5.23
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
Benzamide, N-[6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-methyl-1H-indazol-3-yl]-3-(trifluoromethyl)-
CID 11398307
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-p-tolylurea
CID 11167612
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-phenylurea
CID 11340353
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-methylbenzamide
CID 11363357
N-(6-((6,7-bis(methyloxy)-4-quinolinyl)oxy)-1-methyl-1H-indazol-3-yl)-4-(methyloxy)benzamide
CID 11363728
3-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-fluorobenzamide
CID 11409568
4-chloro-N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)benzamide
CID 11443197
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 11444696
N-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-4-(trifluoromethyl)benzamide
CID 11466569
n-(1-Ethylpyrazol-3-yl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 11633427
6-((6,7-bis(methoxy)-4-quinolinyl)oxy)-N-ethyl-1-methyl-1H-indazol-3-amine
CID 44562291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide (CID 11248850) is 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide is COc1cc2nccc(Oc3ccc4c(NC(=O)c5cc(Cl)ccn5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide?
The InChIKey is PGVQGRXAKLFXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O4/c1-31-20-11-15(35-21-7-9-27-18-13-23(34-3)22(33-2)12-17(18)21)4-5-16(20)24(30-31)29-25(32)19-10-14(26)6-8-28-19/h4-13H,1-3H3,(H,29,30,32).
What are the key properties of 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide?
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide has a molecular weight of 489.92 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11248850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).