[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H31N5O2 — CID 164697611

IUPAC[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCCc1oc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1CN1CCCC1
InChIInChI=1S/C21H31N5O2/c1-5-17-16(12-24-8-6-7-9-24)10-18(28-17)21(27)25-11-15(4)26-19(13-25)22-23-20(26)14(2)3/h10,14-15H,5-9,11-13H2,1-4H3/t15-/m0/s1
InChIKeyOEPKTMCYRCRNMT-HNNXBMFYSA-N
MW385.51 g/mol
LogP3.37
Rot. Bonds5

About [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164697611) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164697611
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCCc1oc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1CN1CCCC1
InChIInChI=1S/C21H31N5O2/c1-5-17-16(12-24-8-6-7-9-24)10-18(28-17)21(27)25-11-15(4)26-19(13-25)22-23-20(26)14(2)3/h10,14-15H,5-9,11-13H2,1-4H3/t15-/m0/s1
InChIKeyOEPKTMCYRCRNMT-HNNXBMFYSA-N
XLogP3.37
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164697611) is [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CCc1oc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1CN1CCCC1.
What is the InChIKey of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is OEPKTMCYRCRNMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-5-17-16(12-24-8-6-7-9-24)10-18(28-17)21(27)25-11-15(4)26-19(13-25)22-23-20(26)14(2)3/h10,14-15H,5-9,11-13H2,1-4H3/t15-/m0/s1.
What are the key properties of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164697611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).