2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

C16H21N5OS — CID 95323809

IUPAC2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H21N5OS/c22-16(20-6-1-2-14(20)12-5-7-23-10-12)8-17-13-3-4-15-18-11-19-21(15)9-13/h5,7,10-11,13-14,17H,1-4,6,8-9H2/t13-,14-/m1/s1
InChIKeyMZBSGQHSAUOFFT-ZIAGYGMSSA-N
MW331.44 g/mol
LogP1.61
Rot. Bonds4

About 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 95323809) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
PubChem CID95323809
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H21N5OS/c22-16(20-6-1-2-14(20)12-5-7-23-10-12)8-17-13-3-4-15-18-11-19-21(15)9-13/h5,7,10-11,13-14,17H,1-4,6,8-9H2/t13-,14-/m1/s1
InChIKeyMZBSGQHSAUOFFT-ZIAGYGMSSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-1-[2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperidine-2-carboxamide
CID 95607404
1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95329691
1-(4-phenylpiperazin-1-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95338996
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
(6S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291898
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
CID 94114826
2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95750391
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (CID 95323809) is 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is MZBSGQHSAUOFFT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(20-6-1-2-14(20)12-5-7-23-10-12)8-17-13-3-4-15-18-11-19-21(15)9-13/h5,7,10-11,13-14,17H,1-4,6,8-9H2/t13-,14-/m1/s1.
What are the key properties of 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95323809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).