(2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C26H26FN7O3 — CID 40601661

About (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

(2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 40601661) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 40601661
• Molecular Formula: C26H26FN7O3
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.21
• IUPAC Name: (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1
• InChI: InChI=1S/C26H26FN7O3/c1-17-9-10-22(37-17)25-30-32-33(31-25)16-23(35)34(21-8-4-5-19(27)15-21)24(18-11-13-28-14-12-18)26(36)29-20-6-2-3-7-20/h4-5,8-15,20,24H,2-3,6-7,16H2,1H3,(H,29,36)/t24-/m1/s1
• InChIKey: OGVTYEMXJAJWCR-XMMPIXPASA-N
• XLogP: 3.61
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 40601661) is (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1.

What is the InChIKey of (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The InChIKey is OGVTYEMXJAJWCR-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-17-9-10-22(37-17)25-30-32-33(31-25)16-23(35)34(21-8-4-5-19(27)15-21)24(18-11-13-28-14-12-18)26(36)29-20-6-2-3-7-20/h4-5,8-15,20,24H,2-3,6-7,16H2,1H3,(H,29,36)/t24-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

(2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 503.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 40601661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).