formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C18H21N7O4S — CID 155939262

IUPACformic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3cn4ccncc4n3)CC2=O)s1.O=CO
InChIInChI=1S/C17H19N7O2S.CH2O2/c1-2-3-14-21-22-17(27-14)24-9-11(6-15(24)25)16(26)19-7-12-10-23-5-4-18-8-13(23)20-12;2-1-3/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,26);1H,(H,2,3)
InChIKeyJVXPJEAENKBFSH-UHFFFAOYSA-N
MW431.48 g/mol
LogP0.90
Rot. Bonds6

About formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155939262) has the molecular formula C18H21N7O4S and a molecular weight of 431.48 g/mol. Its IUPAC name is formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155939262
Molecular FormulaC18H21N7O4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC Nameformic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3cn4ccncc4n3)CC2=O)s1.O=CO
InChIInChI=1S/C17H19N7O2S.CH2O2/c1-2-3-14-21-22-17(27-14)24-9-11(6-15(24)25)16(26)19-7-12-10-23-5-4-18-8-13(23)20-12;2-1-3/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,26);1H,(H,2,3)
InChIKeyJVXPJEAENKBFSH-UHFFFAOYSA-N
XLogP0.90
TPSA142.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

formic acid;5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155939162
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5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
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1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155940666
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
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5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155501749
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
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CID 154819627
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
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CID 155497205
N-[(2-amino-3-pyridinyl)methyl]-1-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155939519

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 155939262) is formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCc1nnc(N2CC(C(=O)NCc3cn4ccncc4n3)CC2=O)s1.O=CO.
What is the InChIKey of formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JVXPJEAENKBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S.CH2O2/c1-2-3-14-21-22-17(27-14)24-9-11(6-15(24)25)16(26)19-7-12-10-23-5-4-18-8-13(23)20-12;2-1-3/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,19,26);1H,(H,2,3).
What are the key properties of formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155939262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).