2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C25H33N5O4 — CID 134810050

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2Cc1cccnc1
InChIInChI=1S/C25H33N5O4/c1-25(2,24(31)27-9-10-29-11-13-33-14-12-29)34-23-21-15-19(18-32-3)6-7-22(21)30(28-23)17-20-5-4-8-26-16-20/h4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,31)
InChIKeyLYTHUUAAQITVNP-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.23
Rot. Bonds10

About 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 134810050) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID134810050
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2Cc1cccnc1
InChIInChI=1S/C25H33N5O4/c1-25(2,24(31)27-9-10-29-11-13-33-14-12-29)34-23-21-15-19(18-32-3)6-7-22(21)30(28-23)17-20-5-4-8-26-16-20/h4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,31)
InChIKeyLYTHUUAAQITVNP-UHFFFAOYSA-N
XLogP2.23
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 134810050) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCN1CCOCC1)nn2Cc1cccnc1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is LYTHUUAAQITVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-25(2,24(31)27-9-10-29-11-13-33-14-12-29)34-23-21-15-19(18-32-3)6-7-22(21)30(28-23)17-20-5-4-8-26-16-20/h4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,31).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 467.57 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 134810050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).