5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide

C20H19FN4O2 — CID 97012479

IUPAC5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2occc21)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C20H19FN4O2/c21-13-6-8-14(9-7-13)25-19(12-4-5-12)18(23-24-25)20(26)22-16-2-1-3-17-15(16)10-11-27-17/h6-12,16H,1-5H2,(H,22,26)/t16-/m1/s1
InChIKeyYQZNRDWEDGWOBE-MRXNPFEDSA-N
MW366.40 g/mol
LogP3.68
Rot. Bonds4

About 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide

5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide (PubChem CID 97012479) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide
PubChem CID97012479
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2occc21)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C20H19FN4O2/c21-13-6-8-14(9-7-13)25-19(12-4-5-12)18(23-24-25)20(26)22-16-2-1-3-17-15(16)10-11-27-17/h6-12,16H,1-5H2,(H,22,26)/t16-/m1/s1
InChIKeyYQZNRDWEDGWOBE-MRXNPFEDSA-N
XLogP3.68
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide with MolForge

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923847
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
CID 51130190
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
1-ethyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzotriazole-5-carboxamide
CID 78849399
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
CID 71931313
5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
CID 75463024
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide (CID 97012479) is 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide is O=C(N[C@@H]1CCCc2occc21)c1nnn(-c2ccc(F)cc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide?
The InChIKey is YQZNRDWEDGWOBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-13-6-8-14(9-7-13)25-19(12-4-5-12)18(23-24-25)20(26)22-16-2-1-3-17-15(16)10-11-27-17/h6-12,16H,1-5H2,(H,22,26)/t16-/m1/s1.
What are the key properties of 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-fluorophenyl)-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 97012479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).