2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C22H24F3N3O3 — CID 134805780

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1ccccc1
InChIInChI=1S/C22H24F3N3O3/c1-21(2,20(29)26-14-22(23,24)25)31-19-17-11-16(13-30-3)9-10-18(17)28(27-19)12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H,26,29)
InChIKeyPNVJDNWDZWHTCF-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.07
Rot. Bonds8

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 134805780) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID134805780
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1ccccc1
InChIInChI=1S/C22H24F3N3O3/c1-21(2,20(29)26-14-22(23,24)25)31-19-17-11-16(13-30-3)9-10-18(17)28(27-19)12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H,26,29)
InChIKeyPNVJDNWDZWHTCF-UHFFFAOYSA-N
XLogP4.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958683
N-(1-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylethanone
CID 127047643
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134806428
N-(1-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155513499
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134809742
2-[5-(Methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134809864
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134809871
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 134805780) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PNVJDNWDZWHTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-21(2,20(29)26-14-22(23,24)25)31-19-17-11-16(13-30-3)9-10-18(17)28(27-19)12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H,26,29).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 435.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 134805780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).