5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C19H24FN7O2 — CID 45190731

IUPAC5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C19H24FN7O2/c1-28-11-8-21-16-17(24-19-18(23-16)25-29-26-19)22-12-15(27-9-2-3-10-27)13-4-6-14(20)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyRVRNAWGAPYFFKJ-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.46
Rot. Bonds9

About 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 45190731) has the molecular formula C19H24FN7O2 and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID45190731
Molecular FormulaC19H24FN7O2
Molecular Weight401.45 g/mol
Exact Mass401.20
IUPAC Name5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C19H24FN7O2/c1-28-11-8-21-16-17(24-19-18(23-16)25-29-26-19)22-12-15(27-9-2-3-10-27)13-4-6-14(20)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,21,23,25)(H,22,24,26)
InChIKeyRVRNAWGAPYFFKJ-UHFFFAOYSA-N
XLogP2.46
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111312684
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 92612455
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiourea
CID 24501862
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 45190731) is 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCNc1nc2nonc2nc1NCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is RVRNAWGAPYFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O2/c1-28-11-8-21-16-17(24-19-18(23-16)25-29-26-19)22-12-15(27-9-2-3-10-27)13-4-6-14(20)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 401.45 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 45190731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).