N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C29H37N5O2 — CID 74802824

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(C2NNCC2CN2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H37N5O2/c1-36-23-8-6-20(7-9-23)27-22(18-32-33-27)19-34-14-11-29(12-15-34)16-25(29)28(35)30-13-10-21-17-31-26-5-3-2-4-24(21)26/h2-9,17,22,25,27,31-33H,10-16,18-19H2,1H3,(H,30,35)
InChIKeyJZSRWFMATLZPQH-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 74802824) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID74802824
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(C2NNCC2CN2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H37N5O2/c1-36-23-8-6-20(7-9-23)27-22(18-32-33-27)19-34-14-11-29(12-15-34)16-25(29)28(35)30-13-10-21-17-31-26-5-3-2-4-24(21)26/h2-9,17,22,25,27,31-33H,10-16,18-19H2,1H3,(H,30,35)
InChIKeyJZSRWFMATLZPQH-UHFFFAOYSA-N
XLogP3.40
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45188496
6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45208093
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41254769
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
(2S,5S)-5-[3-(1H-indol-3-yl)propanoylamino]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxo-N-(2-phenylethyl)piperidine-2-carboxamide
CID 11671352
(1S,5R,6S,7R)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 92504176
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268
1-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 156606265
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 74802824) is N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(C2NNCC2CN2CCC3(CC2)CC3C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is JZSRWFMATLZPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-36-23-8-6-20(7-9-23)27-22(18-32-33-27)19-34-14-11-29(12-15-34)16-25(29)28(35)30-13-10-21-17-31-26-5-3-2-4-24(21)26/h2-9,17,22,25,27,31-33H,10-16,18-19H2,1H3,(H,30,35).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 74802824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).