2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide

C24H25N5O3 — CID 134806442

IUPAC2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1cnccn1
InChIInChI=1S/C24H25N5O3/c1-24(2,23(30)27-17-18-16-25-12-13-26-18)32-22-20-10-6-7-11-21(20)29(28-22)14-15-31-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyQHLCTHYHLOOVCR-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.38
Rot. Bonds9

About 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide

2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 134806442) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID134806442
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1cnccn1
InChIInChI=1S/C24H25N5O3/c1-24(2,23(30)27-17-18-16-25-12-13-26-18)32-22-20-10-6-7-11-21(20)29(28-22)14-15-31-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyQHLCTHYHLOOVCR-UHFFFAOYSA-N
XLogP3.38
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide (CID 134806442) is 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide is CC(C)(Oc1nn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1cnccn1.
What is the InChIKey of 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is QHLCTHYHLOOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,23(30)27-17-18-16-25-12-13-26-18)32-22-20-10-6-7-11-21(20)29(28-22)14-15-31-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide?
2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 431.50 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 134806442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).