2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide

C25H32N4O2 — CID 134805067

IUPAC2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCn1nc(OC(C)(C)C(=O)NCCc2ccccc2)c2cc(CN3CCCC3)ccc21
InChIInChI=1S/C25H32N4O2/c1-25(2,24(30)26-14-13-19-9-5-4-6-10-19)31-23-21-17-20(18-29-15-7-8-16-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30)
InChIKeyBWHOSPOUCHYXIE-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.69
Rot. Bonds8

About 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide

2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide (PubChem CID 134805067) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
PubChem CID134805067
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide
SMILESCn1nc(OC(C)(C)C(=O)NCCc2ccccc2)c2cc(CN3CCCC3)ccc21
InChIInChI=1S/C25H32N4O2/c1-25(2,24(30)26-14-13-19-9-5-4-6-10-19)31-23-21-17-20(18-29-15-7-8-16-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30)
InChIKeyBWHOSPOUCHYXIE-UHFFFAOYSA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134806428
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
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
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide
CID 90335396
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134805780
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide
CID 134809964
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide (CID 134805067) is 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide is Cn1nc(OC(C)(C)C(=O)NCCc2ccccc2)c2cc(CN3CCCC3)ccc21.
What is the InChIKey of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
The InChIKey is BWHOSPOUCHYXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-25(2,24(30)26-14-13-19-9-5-4-6-10-19)31-23-21-17-20(18-29-15-7-8-16-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30).
What are the key properties of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide?
2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide has a molecular weight of 420.56 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 134805067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).