(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide

C21H25N5O3 — CID 95859560

IUPAC(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H25N5O3/c27-20-13-16(14-25(20)15-17-7-6-12-29-17)21(28)22-10-4-1-2-8-18-23-24-19-9-3-5-11-26(18)19/h3,5-7,9,11-12,16H,1-2,4,8,10,13-15H2,(H,22,28)/t16-/m0/s1
InChIKeyAGKSUTSDAOVPCL-INIZCTEOSA-N
MW395.46 g/mol
LogP2.20
Rot. Bonds9

About (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide

(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide (PubChem CID 95859560) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
PubChem CID95859560
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCCCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H25N5O3/c27-20-13-16(14-25(20)15-17-7-6-12-29-17)21(28)22-10-4-1-2-8-18-23-24-19-9-3-5-11-26(18)19/h3,5-7,9,11-12,16H,1-2,4,8,10,13-15H2,(H,22,28)/t16-/m0/s1
InChIKeyAGKSUTSDAOVPCL-INIZCTEOSA-N
XLogP2.20
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylphenyl)methyl]-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 43018498
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70737647
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 52508319
1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 47092744
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 86207232
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide (CID 95859560) is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide is O=C(NCCCCCc1nnc2ccccn12)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide?
The InChIKey is AGKSUTSDAOVPCL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-20-13-16(14-25(20)15-17-7-6-12-29-17)21(28)22-10-4-1-2-8-18-23-24-19-9-3-5-11-26(18)19/h3,5-7,9,11-12,16H,1-2,4,8,10,13-15H2,(H,22,28)/t16-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95859560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).