1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide

C24H30N4O4 — CID 59111966

IUPAC1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccccc2)c2c(OC[C@@H](O)CN3CCOCC3)cccc12
InChIInChI=1S/C24H30N4O4/c1-26(2)24(30)22-20-9-6-10-21(32-17-19(29)16-27-11-13-31-14-12-27)23(20)28(25-22)15-18-7-4-3-5-8-18/h3-10,19,29H,11-17H2,1-2H3/t19-/m0/s1
InChIKeyYCLWUBCMFYUKJO-IBGZPJMESA-N
MW438.53 g/mol
LogP1.86
Rot. Bonds8

About 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide

1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide (PubChem CID 59111966) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide
PubChem CID59111966
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccccc2)c2c(OC[C@@H](O)CN3CCOCC3)cccc12
InChIInChI=1S/C24H30N4O4/c1-26(2)24(30)22-20-9-6-10-21(32-17-19(29)16-27-11-13-31-14-12-27)23(20)28(25-22)15-18-7-4-3-5-8-18/h3-10,19,29H,11-17H2,1-2H3/t19-/m0/s1
InChIKeyYCLWUBCMFYUKJO-IBGZPJMESA-N
XLogP1.86
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
CID 18765386
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
7-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604492
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride
CID 2966841
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 73355762
1-[2-(azetidin-1-ylmethyl)-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72845119
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
CID 18765426
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
CID 73349685

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide?
The IUPAC name of 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide (CID 59111966) is 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide?
The canonical SMILES for 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide is CN(C)C(=O)c1nn(Cc2ccccc2)c2c(OC[C@@H](O)CN3CCOCC3)cccc12.
What is the InChIKey of 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide?
The InChIKey is YCLWUBCMFYUKJO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N4O4/c1-26(2)24(30)22-20-9-6-10-21(32-17-19(29)16-27-11-13-31-14-12-27)23(20)28(25-22)15-18-7-4-3-5-8-18/h3-10,19,29H,11-17H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide?
1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-N,N-dimethylindazole-3-carboxamide is sourced from PubChem (CID 59111966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).