3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide

C22H21N5O2 — CID 165385189

IUPAC3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccnnc1
InChIInChI=1S/C22H21N5O2/c1-3-29-20-11-15(7-8-19(20)16-9-10-23-24-12-16)22(28)27(2)14-18-6-4-5-17-13-25-26-21(17)18/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyYIVGJWAONXECHR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.69
Rot. Bonds6

About 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide (PubChem CID 165385189) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
PubChem CID165385189
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccnnc1
InChIInChI=1S/C22H21N5O2/c1-3-29-20-11-15(7-8-19(20)16-9-10-23-24-12-16)22(28)27(2)14-18-6-4-5-17-13-25-26-21(17)18/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyYIVGJWAONXECHR-UHFFFAOYSA-N
XLogP3.69
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide?
The IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide (CID 165385189) is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide.
What is the SMILES notation for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide?
The canonical SMILES for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccnnc1.
What is the InChIKey of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide?
The InChIKey is YIVGJWAONXECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-29-20-11-15(7-8-19(20)16-9-10-23-24-12-16)22(28)27(2)14-18-6-4-5-17-13-25-26-21(17)18/h4-13H,3,14H2,1-2H3,(H,25,26).
What are the key properties of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide?
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide is sourced from PubChem (CID 165385189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).