(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide

C27H29FN6O4 — CID 25448535

About (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide

(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25448535) has the molecular formula C27H29FN6O4 and a molecular weight of 520.57 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25448535
• Molecular Formula: C27H29FN6O4
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.22
• IUPAC Name: (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1
• InChI: InChI=1S/C27H29FN6O4/c1-17-7-13-22(37-17)25(27(36)29-21-5-3-4-6-21)33(15-19-9-11-20(28)12-10-19)24(35)16-34-31-26(30-32-34)23-14-8-18(2)38-23/h7-14,21,25H,3-6,15-16H2,1-2H3,(H,29,36)/t25-/m1/s1
• InChIKey: PWVAJDJZPNZFFM-RUZDIDTESA-N
• XLogP: 4.11
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (CID 25448535) is (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1.

What is the InChIKey of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is PWVAJDJZPNZFFM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29FN6O4/c1-17-7-13-22(37-17)25(27(36)29-21-5-3-4-6-21)33(15-19-9-11-20(28)12-10-19)24(35)16-34-31-26(30-32-34)23-14-8-18(2)38-23/h7-14,21,25H,3-6,15-16H2,1-2H3,(H,29,36)/t25-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide?

(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 520.57 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25448535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).