3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C22H30N6O — CID 92625171

IUPAC3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21
InChIInChI=1S/C22H30N6O/c1-3-27-15-17(19-11-18(29-2)6-7-20(19)27)14-26-9-4-5-16(13-26)22-25-24-21-12-23-8-10-28(21)22/h6-7,11,15-16,23H,3-5,8-10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyOQOJKESJEKFFNS-INIZCTEOSA-N
MW394.52 g/mol
LogP2.74
Rot. Bonds5

About 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 92625171) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID92625171
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21
InChIInChI=1S/C22H30N6O/c1-3-27-15-17(19-11-18(29-2)6-7-20(19)27)14-26-9-4-5-16(13-26)22-25-24-21-12-23-8-10-28(21)22/h6-7,11,15-16,23H,3-5,8-10,12-14H2,1-2H3/t16-/m0/s1
InChIKeyOQOJKESJEKFFNS-INIZCTEOSA-N
XLogP2.74
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
3-[(3R)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625224
2-(2,5-dimethoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120823914
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
3-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826025
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
3-[1-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 155899937
(1R,5S)-3-[(1-ethyl-5-methoxyindol-3-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 92589967
3-[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825851
3-cyclooctyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65020958
2-(2-methoxy-4-methylphenoxy)-1-[(3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 92625239
N,N-dimethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134787393

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 92625171) is 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21.
What is the InChIKey of 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OQOJKESJEKFFNS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N6O/c1-3-27-15-17(19-11-18(29-2)6-7-20(19)27)14-26-9-4-5-16(13-26)22-25-24-21-12-23-8-10-28(21)22/h6-7,11,15-16,23H,3-5,8-10,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 394.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 92625171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).