Mavorixafor

C₂₁H₂₇N₅ — CID 11256587

About Mavorixafor

Mavorixafor (PubChem CID 11256587) has the molecular formula C₂₁H₂₇N₅ and a molecular weight of 349.48 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine.

Molecular Properties

• Compound Name: Mavorixafor
• PubChem CID: 11256587
• Molecular Formula: C₂₁H₂₇N₅
• Molecular Weight: 349.48 g/mol
• Exact Mass: 349.23
• IUPAC Name: N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
• SMILES: NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1
• InChIKey: WVLHHLRVNDMIAR-IBGZPJMESA-N
• XLogP: 3.58
• TPSA: 70.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.48
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Mavorixafor?

The IUPAC name of Mavorixafor (CID 11256587) is N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine.

What is the SMILES notation for Mavorixafor?

The canonical SMILES for Mavorixafor is NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21.

What is the InChIKey of Mavorixafor?

The InChIKey is WVLHHLRVNDMIAR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1.

What are the key properties of Mavorixafor?

Mavorixafor has a molecular weight of 349.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Mavorixafor is sourced from PubChem (CID 11256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11256587 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5820 — approved-drug record (CC BY-SA 4.0)

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