N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H33N5O2 — CID 45188496

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C26H33N5O2/c1-17(2)13-19-14-23(30-29-19)25(33)31-11-8-26(9-12-31)15-21(26)24(32)27-10-7-18-16-28-22-6-4-3-5-20(18)22/h3-6,14,16-17,21,28H,7-13,15H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyADMAMVLVQIIRAL-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45188496) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45188496
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C26H33N5O2/c1-17(2)13-19-14-23(30-29-19)25(33)31-11-8-26(9-12-31)15-21(26)24(32)27-10-7-18-16-28-22-6-4-3-5-20(18)22/h3-6,14,16-17,21,28H,7-13,15H2,1-2H3,(H,27,32)(H,29,30)
InChIKeyADMAMVLVQIIRAL-UHFFFAOYSA-N
XLogP3.69
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 125164187
N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 74802824
6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45208093
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
3-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 131661643
(3S,4S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 56663377
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
(3S,4S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 56659909

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45188496) is N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide is CC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ADMAMVLVQIIRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17(2)13-19-14-23(30-29-19)25(33)31-11-8-26(9-12-31)15-21(26)24(32)27-10-7-18-16-28-22-6-4-3-5-20(18)22/h3-6,14,16-17,21,28H,7-13,15H2,1-2H3,(H,27,32)(H,29,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45188496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).