N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide

C17H15FN4O2 — CID 47016894

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2/c18-12-5-2-1-4-11(12)13-7-8-14(24-13)17(23)19-10-16-21-20-15-6-3-9-22(15)16/h1-2,4-5,7-8H,3,6,9-10H2,(H,19,23)
InChIKeyMOEXXYDJIXMBIW-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.55
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 47016894) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID47016894
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H15FN4O2/c18-12-5-2-1-4-11(12)13-7-8-14(24-13)17(23)19-10-16-21-20-15-6-3-9-22(15)16/h1-2,4-5,7-8H,3,6,9-10H2,(H,19,23)
InChIKeyMOEXXYDJIXMBIW-UHFFFAOYSA-N
XLogP2.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(2-fluorophenyl)benzamide
CID 131926590
5-(1,3-benzothiazol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)furan-2-carboxamide
CID 51109924
6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24676739
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
N-[2-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)ethyl]-2-phenylacetamide
CID 46524812
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-oxochromene-3-carboxamide
CID 171387756
methyl 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoyl)benzoate
CID 17444434
2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 166339033
5-[4-(2-aminoethyl)phenoxy]-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-fluorobenzamide
CID 171387342

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 47016894) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NCc1nnc2n1CCC2)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is MOEXXYDJIXMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-12-5-2-1-4-11(12)13-7-8-14(24-13)17(23)19-10-16-21-20-15-6-3-9-22(15)16/h1-2,4-5,7-8H,3,6,9-10H2,(H,19,23).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 47016894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).