2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide

C22H19ClN4O3 — CID 67698051

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide
SMILESCOc1ccc2c(c1)c(OCC(=O)Nc1cccnc1)nn2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3/c1-29-18-8-9-20-19(11-18)22(26-27(20)13-15-4-6-16(23)7-5-15)30-14-21(28)25-17-3-2-10-24-12-17/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyZUVYWUNQYSBRAY-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.16
Rot. Bonds7

About 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide

2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide (PubChem CID 67698051) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide
PubChem CID67698051
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide
SMILESCOc1ccc2c(c1)c(OCC(=O)Nc1cccnc1)nn2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3/c1-29-18-8-9-20-19(11-18)22(26-27(20)13-15-4-6-16(23)7-5-15)30-14-21(28)25-17-3-2-10-24-12-17/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyZUVYWUNQYSBRAY-UHFFFAOYSA-N
XLogP4.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide (CID 67698051) is 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide is COc1ccc2c(c1)c(OCC(=O)Nc1cccnc1)nn2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide?
The InChIKey is ZUVYWUNQYSBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-29-18-8-9-20-19(11-18)22(26-27(20)13-15-4-6-16(23)7-5-15)30-14-21(28)25-17-3-2-10-24-12-17/h2-12H,13-14H2,1H3,(H,25,28).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide has a molecular weight of 422.87 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindazol-3-yl]oxy-N-pyridin-3-ylacetamide is sourced from PubChem (CID 67698051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).