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

C26H35N5O3 — CID 134809866

IUPAC2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)NCCc2ccccn2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C26H35N5O3/c1-19(2)31-23-9-8-20(18-30-13-15-33-16-14-30)17-22(23)24(29-31)34-26(3,4)25(32)28-12-10-21-7-5-6-11-27-21/h5-9,11,17,19H,10,12-16,18H2,1-4H3,(H,28,32)
InChIKeyJDJVABGELLNDOF-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.36
Rot. Bonds9

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

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 134809866) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID134809866
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)NCCc2ccccn2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C26H35N5O3/c1-19(2)31-23-9-8-20(18-30-13-15-33-16-14-30)17-22(23)24(29-31)34-26(3,4)25(32)28-12-10-21-7-5-6-11-27-21/h5-9,11,17,19H,10,12-16,18H2,1-4H3,(H,28,32)
InChIKeyJDJVABGELLNDOF-UHFFFAOYSA-N
XLogP3.36
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide (CID 134809866) is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide is CC(C)n1nc(OC(C)(C)C(=O)NCCc2ccccn2)c2cc(CN3CCOCC3)ccc21.
What is the InChIKey of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is JDJVABGELLNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-19(2)31-23-9-8-20(18-30-13-15-33-16-14-30)17-22(23)24(29-31)34-26(3,4)25(32)28-12-10-21-7-5-6-11-27-21/h5-9,11,17,19H,10,12-16,18H2,1-4H3,(H,28,32).
What are the key properties of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide?
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 134809866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).