N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C24H32N4O2 — CID 59169713

IUPACN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29)
InChIKeyJPEDAXPHURVMGT-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.07
Rot. Bonds5

About N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 59169713) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID59169713
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29)
InChIKeyJPEDAXPHURVMGT-UHFFFAOYSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-Fluoro-apinaca
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LY 353433
CID 9826941
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
Fub-apinaca
CID 118796517
N-((1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 44206137
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 11397742
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 21252891
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 59169713) is N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is JPEDAXPHURVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29).
What are the key properties of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 59169713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).