(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide

C19H23N7O5S — CID 70662449

IUPAC(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide
SMILESCc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](C(N)=O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C19H23N7O5S/c1-12-13(26-7-3-6-16(26)27)4-2-5-14(12)32(30,31)23-17(18(20)28)19(29)24-8-9-25-11-21-22-15(25)10-24/h2,4-5,11,17,23H,3,6-10H2,1H3,(H2,20,28)/t17-/m0/s1
InChIKeyNPTXXLZUUPAOGV-KRWDZBQOSA-N
MW461.50 g/mol
LogP-1.11
Rot. Bonds6

About (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide

(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide (PubChem CID 70662449) has the molecular formula C19H23N7O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide
PubChem CID70662449
Molecular FormulaC19H23N7O5S
Molecular Weight461.50 g/mol
Exact Mass461.15
IUPAC Name(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide
SMILESCc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](C(N)=O)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C19H23N7O5S/c1-12-13(26-7-3-6-16(26)27)4-2-5-14(12)32(30,31)23-17(18(20)28)19(29)24-8-9-25-11-21-22-15(25)10-24/h2,4-5,11,17,23H,3,6-10H2,1H3,(H2,20,28)/t17-/m0/s1
InChIKeyNPTXXLZUUPAOGV-KRWDZBQOSA-N
XLogP-1.11
TPSA160.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide 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 (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide?
The IUPAC name of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide (CID 70662449) is (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide.
What is the SMILES notation for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide?
The canonical SMILES for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide is Cc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](C(N)=O)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide?
The InChIKey is NPTXXLZUUPAOGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N7O5S/c1-12-13(26-7-3-6-16(26)27)4-2-5-14(12)32(30,31)23-17(18(20)28)19(29)24-8-9-25-11-21-22-15(25)10-24/h2,4-5,11,17,23H,3,6-10H2,1H3,(H2,20,28)/t17-/m0/s1.
What are the key properties of (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide?
(2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide has a molecular weight of 461.50 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-oxopropanamide is sourced from PubChem (CID 70662449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).