N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

C23H23N5O4 — CID 24758868

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
SMILESCOc1ccc2c(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H23N5O4/c1-14-20(13-28(2)27-14)26-23(29)11-19-22(31-4)10-16(12-25-19)32-21-7-8-24-18-9-15(30-3)5-6-17(18)21/h5-10,12-13H,11H2,1-4H3,(H,26,29)
InChIKeyFSFLUUXFGRLPMG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.66
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (PubChem CID 24758868) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
PubChem CID24758868
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
SMILESCOc1ccc2c(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1
InChIInChI=1S/C23H23N5O4/c1-14-20(13-28(2)27-14)26-23(29)11-19-22(31-4)10-16(12-25-19)32-21-7-8-24-18-9-15(30-3)5-6-17(18)21/h5-10,12-13H,11H2,1-4H3,(H,26,29)
InChIKeyFSFLUUXFGRLPMG-UHFFFAOYSA-N
XLogP3.66
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (CID 24758868) is N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is COc1ccc2c(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
The InChIKey is FSFLUUXFGRLPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14-20(13-28(2)27-14)26-23(29)11-19-22(31-4)10-16(12-25-19)32-21-7-8-24-18-9-15(30-3)5-6-17(18)21/h5-10,12-13H,11H2,1-4H3,(H,26,29).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 24758868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).