N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide

C23H26N4O3 — CID 140554860

IUPACN-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
InChIInChI=1S/C23H26N4O3/c1-3-24-22(29)20-8-5-9-27(20)23(30)17-12-16-18(25-26-19(16)13-21(17)28)11-15-7-4-6-14(2)10-15/h4,6-7,10,12-13,20,28H,3,5,8-9,11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyXGTYWIOALPNNBX-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide

N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 140554860) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide
PubChem CID140554860
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
InChIInChI=1S/C23H26N4O3/c1-3-24-22(29)20-8-5-9-27(20)23(30)17-12-16-18(25-26-19(16)13-21(17)28)11-15-7-4-6-14(2)10-15/h4,6-7,10,12-13,20,28H,3,5,8-9,11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyXGTYWIOALPNNBX-UHFFFAOYSA-N
XLogP2.91
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154063847
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
CID 70788441
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
2-[(3-methylphenyl)methyl]-3-[(1-propanoylpiperidine-2-carbonyl)amino]propanoic acid
CID 119242959
(2S)-1-[2-(3-methylphenyl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768846
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
N-ethyl-3-(methanesulfonamido)-2-[[3-[(3-methylphenyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 137461550
N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 86882394
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide (CID 140554860) is N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O.
What is the InChIKey of N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is XGTYWIOALPNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-24-22(29)20-8-5-9-27(20)23(30)17-12-16-18(25-26-19(16)13-21(17)28)11-15-7-4-6-14(2)10-15/h4,6-7,10,12-13,20,28H,3,5,8-9,11H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide?
N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140554860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).