4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

C23H27ClN4O2 — CID 46896675

IUPAC4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCc2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-27-22(28-7-6-14-4-2-3-5-17(14)28)18(24)20(26-27)21(29)25-19-15-8-13-9-16(19)12-23(30,10-13)11-15/h2-5,13,15-16,19,30H,6-12H2,1H3,(H,25,29)
InChIKeyAGFLPLCATBYILP-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.44
Rot. Bonds3

About 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (PubChem CID 46896675) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
PubChem CID46896675
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCc2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-27-22(28-7-6-14-4-2-3-5-17(14)28)18(24)20(26-27)21(29)25-19-15-8-13-9-16(19)12-23(30,10-13)11-15/h2-5,13,15-16,19,30H,6-12H2,1H3,(H,25,29)
InChIKeyAGFLPLCATBYILP-UHFFFAOYSA-N
XLogP3.44
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59658107
4-chloro-5-[4-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
CID 46913329
4-[[4-chloro-3-[(5-hydroxy-2-adamantyl)carbamoyl]-1-methylpyrazol-5-yl]-methylamino]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 67043194
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
CID 142675489
4-[[[4-chloro-3-[(5-hydroxy-2-adamantyl)carbamoyl]-1-methylpyrazol-5-yl]-methylamino]methyl]piperidine-1-carboxylic acid
CID 91227045
4-chloro-5-[(4-chloro-2-pyridinyl)-methylamino]-1-ethyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrazole-3-carboxamide
CID 71763229
3-(3,4-dichlorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-1,3-thiazolidine-2-carboxamide
CID 53317318
4-fluoro-N-(5-hydroxy-2-adamantyl)-1-methyl-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide
CID 67043244
[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122264
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134134
N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59408262
6-[4-(4-carbamoyl-2-chlorophenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67467883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (CID 46896675) is 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCc2ccccc21.
What is the InChIKey of 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AGFLPLCATBYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-27-22(28-7-6-14-4-2-3-5-17(14)28)18(24)20(26-27)21(29)25-19-15-8-13-9-16(19)12-23(30,10-13)11-15/h2-5,13,15-16,19,30H,6-12H2,1H3,(H,25,29).
What are the key properties of 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).