2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

C24H32N4O3 — CID 134809871

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN(C)C)nn2Cc1ccccc1
InChIInChI=1S/C24H32N4O3/c1-24(2,23(29)25-13-14-27(3)4)31-22-20-15-19(17-30-5)11-12-21(20)28(26-22)16-18-9-7-6-8-10-18/h6-12,15H,13-14,16-17H2,1-5H3,(H,25,29)
InChIKeyKSBWJHIGXOMXSQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.07
Rot. Bonds10

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (PubChem CID 134809871) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
PubChem CID134809871
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN(C)C)nn2Cc1ccccc1
InChIInChI=1S/C24H32N4O3/c1-24(2,23(29)25-13-14-27(3)4)31-22-20-15-19(17-30-5)11-12-21(20)28(26-22)16-18-9-7-6-8-10-18/h6-12,15H,13-14,16-17H2,1-5H3,(H,25,29)
InChIKeyKSBWJHIGXOMXSQ-UHFFFAOYSA-N
XLogP3.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (CID 134809871) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN(C)C)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The InChIKey is KSBWJHIGXOMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(2,23(29)25-13-14-27(3)4)31-22-20-15-19(17-30-5)11-12-21(20)28(26-22)16-18-9-7-6-8-10-18/h6-12,15H,13-14,16-17H2,1-5H3,(H,25,29).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide has a molecular weight of 424.55 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 134809871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).