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

C26H31FN6O3 — CID 1142634

IUPAC(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O3/c1-17-10-15-22(36-17)25-29-31-32(30-25)16-23(34)33(21-8-4-5-9-21)24(18-11-13-19(27)14-12-18)26(35)28-20-6-2-3-7-20/h10-15,20-21,24H,2-9,16H2,1H3,(H,28,35)/t24-/m1/s1
InChIKeyNJJSDSAFXAWEIP-XMMPIXPASA-N
MW494.57 g/mol
LogP3.95
Rot. Bonds8

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

(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (PubChem CID 1142634) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
PubChem CID1142634
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C26H31FN6O3/c1-17-10-15-22(36-17)25-29-31-32(30-25)16-23(34)33(21-8-4-5-9-21)24(18-11-13-19(27)14-12-18)26(35)28-20-6-2-3-7-20/h10-15,20-21,24H,2-9,16H2,1H3,(H,28,35)/t24-/m1/s1
InChIKeyNJJSDSAFXAWEIP-XMMPIXPASA-N
XLogP3.95
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (CID 1142634) is (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is NJJSDSAFXAWEIP-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-17-10-15-22(36-17)25-29-31-32(30-25)16-23(34)33(21-8-4-5-9-21)24(18-11-13-19(27)14-12-18)26(35)28-20-6-2-3-7-20/h10-15,20-21,24H,2-9,16H2,1H3,(H,28,35)/t24-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 494.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1142634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).