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

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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).